(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide

C18H23N3O2S — CID 98751031

IUPAC(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O2S/c1-15-9-6-8-14-21(15)24(22,23)20-18(16-10-3-2-4-11-16)17-12-5-7-13-19-17/h2-5,7,10-13,15,18,20H,6,8-9,14H2,1H3/t15-,18+/m0/s1
InChIKeyOGJZJKOEHNZHKO-MAUKXSAKSA-N
MW345.47 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide

(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 98751031) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID98751031
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O2S/c1-15-9-6-8-14-21(15)24(22,23)20-18(16-10-3-2-4-11-16)17-12-5-7-13-19-17/h2-5,7,10-13,15,18,20H,6,8-9,14H2,1H3/t15-,18+/m0/s1
InChIKeyOGJZJKOEHNZHKO-MAUKXSAKSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide (CID 98751031) is (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide is C[C@H]1CCCCN1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is OGJZJKOEHNZHKO-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-15-9-6-8-14-21(15)24(22,23)20-18(16-10-3-2-4-11-16)17-12-5-7-13-19-17/h2-5,7,10-13,15,18,20H,6,8-9,14H2,1H3/t15-,18+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide?
(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 98751031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).