(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C13H18N2O4S — CID 94123056

IUPAC(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C13H18N2O4S/c1-19-11-6-2-3-7-12(11)20(17,18)15-8-4-5-10(9-15)13(14)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyQKOJMHTYLAMSOM-JTQLQIEISA-N
MW298.36 g/mol
LogP0.58
Rot. Bonds4

About (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 94123056) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID94123056
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C13H18N2O4S/c1-19-11-6-2-3-7-12(11)20(17,18)15-8-4-5-10(9-15)13(14)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyQKOJMHTYLAMSOM-JTQLQIEISA-N
XLogP0.58
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
(2R,3R)-2-{[(4-Methoxy-benzenesulfonyl)-methyl-amino]-methyl}-5-methyl-3-(piperidine-1-carbonyl)-hexanoic acid hydroxyamide
CID 9825927
3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 23553786
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1091445
1-[2-(N-Methyl2-methoxy-5-methylbenzenesulfonamido)acetyl]piperidine-4-carboxamide
CID 1095809
N-(Cyclopropylmethyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide
CID 1458164
Ethyl 1-[(4-methoxyphenyl)sulfonyl]piperidine-3-carboxylate
CID 2904830
N-cyclopropyl-1-[(2-methoxy-5-methylphenyl)sulfonyl]-3-piperidinecarboxamide
CID 2974279

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 94123056) is (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QKOJMHTYLAMSOM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-11-6-2-3-7-12(11)20(17,18)15-8-4-5-10(9-15)13(14)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94123056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).