(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide

C19H23N3O4S — CID 97344312

IUPAC(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H23N3O4S/c1-26-18-16(9-5-11-20-18)13-21-27(24,25)17-10-6-12-22(14-17)19(23)15-7-3-2-4-8-15/h2-5,7-9,11,17,21H,6,10,12-14H2,1H3/t17-/m0/s1
InChIKeyQITLBYCOTVDRLU-KRWDZBQOSA-N
MW389.48 g/mol
LogP1.81
Rot. Bonds6

About (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide

(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 97344312) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID97344312
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H23N3O4S/c1-26-18-16(9-5-11-20-18)13-21-27(24,25)17-10-6-12-22(14-17)19(23)15-7-3-2-4-8-15/h2-5,7-9,11,17,21H,6,10,12-14H2,1H3/t17-/m0/s1
InChIKeyQITLBYCOTVDRLU-KRWDZBQOSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 75474412
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
CID 75474607
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533214
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71893273
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
CID 146088384

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide (CID 97344312) is (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide is COc1ncccc1CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is QITLBYCOTVDRLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-16(9-5-11-20-18)13-21-27(24,25)17-10-6-12-22(14-17)19(23)15-7-3-2-4-8-15/h2-5,7-9,11,17,21H,6,10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide?
(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97344312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).