(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C14H20N2O3S2 — CID 7258371

IUPAC(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O3S2/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyXINBUYVUMOWZFS-NSHDSACASA-N
MW328.46 g/mol
LogP2.02
Rot. Bonds4

About (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 7258371) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID7258371
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O3S2/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyXINBUYVUMOWZFS-NSHDSACASA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513206
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 1243346
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641615
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641782
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 7258371) is (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide is CSc1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XINBUYVUMOWZFS-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 7258371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).