1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine

C13H23F3N2O2S — CID 64758889

IUPAC1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)18-8-6-10(7-9-18)17-12-5-3-2-4-11(12)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyHBPCZDRVVVNLQH-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.12
Rot. Bonds3

About 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine

1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine (PubChem CID 64758889) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
PubChem CID64758889
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)18-8-6-10(7-9-18)17-12-5-3-2-4-11(12)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyHBPCZDRVVVNLQH-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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine (CID 64758889) is 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The InChIKey is HBPCZDRVVVNLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c1-21(19,20)18-8-6-10(7-9-18)17-12-5-3-2-4-11(12)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
1-methylsulfonyl-N-[2-(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-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine is sourced from PubChem (CID 64758889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).