1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C14H23F3N2O3S — CID 30603353

IUPAC1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyKJYUUBMOPNNIFC-RYUDHWBXSA-N
MW356.41 g/mol
LogP1.90
Rot. Bonds3

About 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 30603353) has the molecular formula C14H23F3N2O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID30603353
Molecular FormulaC14H23F3N2O3S
Molecular Weight356.41 g/mol
Exact Mass356.14
IUPAC Name1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyKJYUUBMOPNNIFC-RYUDHWBXSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 30603353) is 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is KJYUUBMOPNNIFC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 30603353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).