magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride

C72H132Cl4MgN8O14S4 — CID 161080008

IUPACmagnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCC(CC=N[S@@](=O)C(C)(C)C)CC1.CO.C[C@@H](N)CC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)N[S@@](=O)C(C)(C)C.Cl.O=C(O)c1ccc(Cl)s1.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C18H27ClN2O3S.C17H34N2O3S.C16H30N2O3S.C13H26N2O2.C5H3ClO2S.CH4O.CH4.CH3.2ClH.Mg/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4;1-13(18-23(21)17(5,6)7)12-14-8-10-19(11-9-14)15(20)22-16(2,3)4;1-15(2,3)21-14(19)18-11-8-13(9-12-18)7-10-17-22(20)16(4,5)6;1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;6-4-2-1-3(9-4)5(7)8;1-2;;;;;/h5-6,12-13H,7-11H2,1-4H3,(H,20,22);13-14,18H,8-12H2,1-7H3;10,13H,7-9,11-12H2,1-6H3;10-11H,5-9,14H2,1-4H3;1-2H,(H,7,8);2H,1H3;1H4;1H3;2*1H;/q;;;;;;;-1;;;+2/p-1/t12-;13-,23+;22-;10-;;;;;;;/m1101......./s1
InChIKeyKSFKOLJRPKYQAB-QBUFUTASSA-M
MW1628.27 g/mol
LogP13.79
Rot. Bonds14

About magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride

magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride (PubChem CID 161080008) has the molecular formula C72H132Cl4MgN8O14S4 and a molecular weight of 1628.27 g/mol. Its IUPAC name is magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride.

Molecular Properties

Compound Namemagnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride
PubChem CID161080008
Molecular FormulaC72H132Cl4MgN8O14S4
Molecular Weight1628.27 g/mol
Exact Mass1624.74
IUPAC Namemagnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCC(CC=N[S@@](=O)C(C)(C)C)CC1.CO.C[C@@H](N)CC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)N[S@@](=O)C(C)(C)C.Cl.O=C(O)c1ccc(Cl)s1.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C18H27ClN2O3S.C17H34N2O3S.C16H30N2O3S.C13H26N2O2.C5H3ClO2S.CH4O.CH4.CH3.2ClH.Mg/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4;1-13(18-23(21)17(5,6)7)12-14-8-10-19(11-9-14)15(20)22-16(2,3)4;1-15(2,3)21-14(19)18-11-8-13(9-12-18)7-10-17-22(20)16(4,5)6;1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;6-4-2-1-3(9-4)5(7)8;1-2;;;;;/h5-6,12-13H,7-11H2,1-4H3,(H,20,22);13-14,18H,8-12H2,1-7H3;10,13H,7-9,11-12H2,1-6H3;10-11H,5-9,14H2,1-4H3;1-2H,(H,7,8);2H,1H3;1H4;1H3;2*1H;/q;;;;;;;-1;;;+2/p-1/t12-;13-,23+;22-;10-;;;;;;;/m1101......./s1
InChIKeyKSFKOLJRPKYQAB-QBUFUTASSA-M
XLogP13.79
TPSA289.34 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.27
LogP ≤ 513.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 174994554
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
tert-butyl 4-[[[6-chloro-3-(propan-2-ylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 174159641

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride?
The IUPAC name of magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride (CID 161080008) is magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride.
What is the SMILES notation for magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride?
The canonical SMILES for magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride is C.CC(C)(C)OC(=O)N1CCC(CC=N[S@@](=O)C(C)(C)C)CC1.CO.C[C@@H](N)CC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1.C[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)N[S@@](=O)C(C)(C)C.Cl.O=C(O)c1ccc(Cl)s1.[CH3-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride?
The InChIKey is KSFKOLJRPKYQAB-QBUFUTASSA-M. The full InChI is InChI=1S/C18H27ClN2O3S.C17H34N2O3S.C16H30N2O3S.C13H26N2O2.C5H3ClO2S.CH4O.CH4.CH3.2ClH.Mg/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4;1-13(18-23(21)17(5,6)7)12-14-8-10-19(11-9-14)15(20)22-16(2,3)4;1-15(2,3)21-14(19)18-11-8-13(9-12-18)7-10-17-22(20)16(4,5)6;1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;6-4-2-1-3(9-4)5(7)8;1-2;;;;;/h5-6,12-13H,7-11H2,1-4H3,(H,20,22);13-14,18H,8-12H2,1-7H3;10,13H,7-9,11-12H2,1-6H3;10-11H,5-9,14H2,1-4H3;1-2H,(H,7,8);2H,1H3;1H4;1H3;2*1H;/q;;;;;;;-1;;;+2/p-1/t12-;13-,23+;22-;10-;;;;;;;/m1101......./s1.
What are the key properties of magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride?
magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride has a molecular weight of 1628.27 g/mol, XLogP of 13.79, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride is sourced from PubChem (CID 161080008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).