tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate

C16H32N2O4S — CID 167963679

IUPACtert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate
SMILESCCS(=O)(=O)CC(C)N(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O4S/c1-7-23(20,21)12-13(2)17(6)14-9-8-10-18(11-14)15(19)22-16(3,4)5/h13-14H,7-12H2,1-6H3
InChIKeyWZZADTHHUKXNNE-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.14
Rot. Bonds5

About tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate

tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate (PubChem CID 167963679) has the molecular formula C16H32N2O4S and a molecular weight of 348.51 g/mol. Its IUPAC name is tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate
PubChem CID167963679
Molecular FormulaC16H32N2O4S
Molecular Weight348.51 g/mol
Exact Mass348.21
IUPAC Nametert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate
SMILESCCS(=O)(=O)CC(C)N(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O4S/c1-7-23(20,21)12-13(2)17(6)14-9-8-10-18(11-14)15(19)22-16(3,4)5/h13-14H,7-12H2,1-6H3
InChIKeyWZZADTHHUKXNNE-UHFFFAOYSA-N
XLogP2.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[[(2S)-2-aminopropanoyl]-methylamino]piperidine-1-carboxylate
CID 66564098
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
tert-butyl 3-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate
CID 155390564
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate
CID 126846006
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl (3S)-3-[(4-fluorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 97166871
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
tert-butyl 3-[[(2S)-2-aminopropanoyl]-methylamino]pyrrolidine-1-carboxylate
CID 66564091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate (CID 167963679) is tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate is CCS(=O)(=O)CC(C)N(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is WZZADTHHUKXNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4S/c1-7-23(20,21)12-13(2)17(6)14-9-8-10-18(11-14)15(19)22-16(3,4)5/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 348.51 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 167963679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).