1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine

C13H23F3N2O2S — CID 64757172

IUPAC1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)18-7-5-11(6-8-18)17-12-4-2-3-10(9-12)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyAGUSRBKNUPSBPA-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.12
Rot. Bonds3

About 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine

1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine (PubChem CID 64757172) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
PubChem CID64757172
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)18-7-5-11(6-8-18)17-12-4-2-3-10(9-12)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyAGUSRBKNUPSBPA-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43432065
3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 113260472
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
cis-(1R,3S)-3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 124624665
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
1-[(3S)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-1-yl]propan-1-one
CID 129430039
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 102613000
1-methylsulfonyl-3-(trifluoromethyl)piperidine
CID 3646972

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine (CID 64757172) is 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The InChIKey is AGUSRBKNUPSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c1-21(19,20)18-7-5-11(6-8-18)17-12-4-2-3-10(9-12)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine has a molecular weight of 328.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine is sourced from PubChem (CID 64757172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).