tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate

C19H38N2O3S — CID 137372967

IUPACtert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCC(C)C[C@@H](N[S@@](=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O3S/c1-14(2)13-16(20-25(23)19(6,7)8)15-9-11-21(12-10-15)17(22)24-18(3,4)5/h14-16,20H,9-13H2,1-8H3/t16-,25+/m1/s1
InChIKeyMZVVENPJXMKKFH-CPJLOUKISA-N
MW374.59 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate

tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate (PubChem CID 137372967) has the molecular formula C19H38N2O3S and a molecular weight of 374.59 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate
PubChem CID137372967
Molecular FormulaC19H38N2O3S
Molecular Weight374.59 g/mol
Exact Mass374.26
IUPAC Nametert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCC(C)C[C@@H](N[S@@](=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O3S/c1-14(2)13-16(20-25(23)19(6,7)8)15-9-11-21(12-10-15)17(22)24-18(3,4)5/h14-16,20H,9-13H2,1-8H3/t16-,25+/m1/s1
InChIKeyMZVVENPJXMKKFH-CPJLOUKISA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(1S)-1-(tert-butylsulfinylamino)propyl]azetidine-1-carboxylate
CID 137370714
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CID 22899309
tert-butyl 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
CID 103765818
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
CID 142325179
tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 89049248
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
tert-butyl 4-[(1S)-1-[tert-butylsulfinyl(prop-2-enyl)amino]ethyl]piperidine-1-carboxylate
CID 166745842

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate (CID 137372967) is tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate is CC(C)C[C@@H](N[S@@](=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate?
The InChIKey is MZVVENPJXMKKFH-CPJLOUKISA-N. The full InChI is InChI=1S/C19H38N2O3S/c1-14(2)13-16(20-25(23)19(6,7)8)15-9-11-21(12-10-15)17(22)24-18(3,4)5/h14-16,20H,9-13H2,1-8H3/t16-,25+/m1/s1.
What are the key properties of tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate?
tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate has a molecular weight of 374.59 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]piperidine-1-carboxylate is sourced from PubChem (CID 137372967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).