(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide

C14H18F2N2O3S — CID 97271544

IUPAC(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O3S/c1-22(20,21)9-10-3-2-6-18(8-10)14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyKSQIKZXQPNHWLT-JTQLQIEISA-N
MW332.37 g/mol
LogP2.25
Rot. Bonds3

About (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide

(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide (PubChem CID 97271544) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
PubChem CID97271544
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2N2O3S/c1-22(20,21)9-10-3-2-6-18(8-10)14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyKSQIKZXQPNHWLT-JTQLQIEISA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 167840474
3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 86791253
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508450
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide (CID 97271544) is (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide is CS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The InChIKey is KSQIKZXQPNHWLT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-22(20,21)9-10-3-2-6-18(8-10)14(19)17-13-5-4-11(15)7-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97271544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).