(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C20H27N3O3S — CID 95809658

IUPAC(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-12-6-8-17(15-23)20-11-5-9-18(21-20)13-16-7-4-10-19(14-16)26-3/h4-5,7,9-11,14,17H,6,8,12-13,15H2,1-3H3/t17-/m0/s1
InChIKeyKZEQSKXXVAQEBV-KRWDZBQOSA-N
MW389.52 g/mol
LogP2.67
Rot. Bonds6

About (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95809658) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95809658
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-12-6-8-17(15-23)20-11-5-9-18(21-20)13-16-7-4-10-19(14-16)26-3/h4-5,7,9-11,14,17H,6,8,12-13,15H2,1-3H3/t17-/m0/s1
InChIKeyKZEQSKXXVAQEBV-KRWDZBQOSA-N
XLogP2.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95809658) is (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is COc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1.
What is the InChIKey of (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is KZEQSKXXVAQEBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-12-6-8-17(15-23)20-11-5-9-18(21-20)13-16-7-4-10-19(14-16)26-3/h4-5,7,9-11,14,17H,6,8,12-13,15H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95809658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).