(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine

C6H11F3N2O2S — CID 93217058

IUPAC(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine
SMILESN[C@H]1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11/h5H,1-4,10H2/t5-/m0/s1
InChIKeyGYCBGQSQTWIHRT-YFKPBYRVSA-N
MW232.23 g/mol
LogP0.26
Rot. Bonds1

About (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine

(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine (PubChem CID 93217058) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine
PubChem CID93217058
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine
SMILESN[C@H]1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11/h5H,1-4,10H2/t5-/m0/s1
InChIKeyGYCBGQSQTWIHRT-YFKPBYRVSA-N
XLogP0.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine 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 (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine (CID 93217058) is (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine is N[C@H]1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine?
The InChIKey is GYCBGQSQTWIHRT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11/h5H,1-4,10H2/t5-/m0/s1.
What are the key properties of (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine?
(3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine has a molecular weight of 232.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(trifluoromethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 93217058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).