4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine

C11H20F3NOS — CID 81333618

IUPAC4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
SMILESCC1CCCC(S(=O)C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-8-3-2-4-9(7-8)17(16)10(5-6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyKJEMQILCPGGGOD-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.59
Rot. Bonds4

About 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine

4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine (PubChem CID 81333618) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
PubChem CID81333618
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
SMILESCC1CCCC(S(=O)C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-8-3-2-4-9(7-8)17(16)10(5-6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyKJEMQILCPGGGOD-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-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 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine (CID 81333618) is 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine is CC1CCCC(S(=O)C(CCN)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine?
The InChIKey is KJEMQILCPGGGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8-3-2-4-9(7-8)17(16)10(5-6-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine?
4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine is sourced from PubChem (CID 81333618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).