(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide

C19H28N2O3S — CID 39898448

IUPAC(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3S/c22-19(20-17-10-4-1-2-5-11-17)16-9-8-14-21(15-16)25(23,24)18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,20,22)/t16-/m0/s1
InChIKeyNKADORUHYRKQGV-INIZCTEOSA-N
MW364.51 g/mol
LogP2.93
Rot. Bonds4

About (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 39898448) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
PubChem CID39898448
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3S/c22-19(20-17-10-4-1-2-5-11-17)16-9-8-14-21(15-16)25(23,24)18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,20,22)/t16-/m0/s1
InChIKeyNKADORUHYRKQGV-INIZCTEOSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41062070
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide (CID 39898448) is (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is NKADORUHYRKQGV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(20-17-10-4-1-2-5-11-17)16-9-8-14-21(15-16)25(23,24)18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 39898448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).