(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide

C16H25N3O3S — CID 124625875

IUPAC(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-14-6-5-10-19(13-14)16(20)17-9-11-23(21,22)18-12-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyXEQKUFUSZDTRBP-AWEZNQCLSA-N
MW339.46 g/mol
LogP1.55
Rot. Bonds6

About (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide

(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide (PubChem CID 124625875) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
PubChem CID124625875
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-14-6-5-10-19(13-14)16(20)17-9-11-23(21,22)18-12-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyXEQKUFUSZDTRBP-AWEZNQCLSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-4-methylazepane-1-carboxamide
CID 86864238
(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
CID 97317437
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256861
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide (CID 124625875) is (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide is C[C@H]1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is XEQKUFUSZDTRBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-6-5-10-19(13-14)16(20)17-9-11-23(21,22)18-12-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide?
(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 124625875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).