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

C13H17FN2O3S — CID 7258343

IUPAC(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyACOWABBDMPTTOB-JTQLQIEISA-N
MW300.35 g/mol
LogP1.44
Rot. Bonds3

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

(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 7258343) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID7258343
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyACOWABBDMPTTOB-JTQLQIEISA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3S)-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 52511309
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 20855555
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50809028
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 7258343) is (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ACOWABBDMPTTOB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 7258343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).