(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide

C18H21N3O3S — CID 95525317

IUPAC(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
SMILESO=C(c1ccccn1)[C@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c22-18(17-10-4-5-11-19-17)16-9-6-12-21(14-16)25(23,24)20-13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2/t16-/m0/s1
InChIKeyOZLKKSBUYXTCGD-INIZCTEOSA-N
MW359.45 g/mol
LogP2.01
Rot. Bonds6

About (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide

(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide (PubChem CID 95525317) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
PubChem CID95525317
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
SMILESO=C(c1ccccn1)[C@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c22-18(17-10-4-5-11-19-17)16-9-6-12-21(14-16)25(23,24)20-13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2/t16-/m0/s1
InChIKeyOZLKKSBUYXTCGD-INIZCTEOSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylpiperidine-1-sulfonamide
CID 2989594
3-benzylsulfanyl-1-[3-(pyridine-2-carbonyl)piperidin-1-yl]propan-1-one
CID 91831465
1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 136549040
1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 131949814
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
CID 171910398
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134713696
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 131919418
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide (CID 95525317) is (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide is O=C(c1ccccn1)[C@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide?
The InChIKey is OZLKKSBUYXTCGD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(17-10-4-5-11-19-17)16-9-6-12-21(14-16)25(23,24)20-13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide?
(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide is sourced from PubChem (CID 95525317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).