3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine

C11H20F3NOS — CID 103372588

IUPAC3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine
SMILESCC1CCCC(S(=O)CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-8-3-2-4-10(5-8)17(16)7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyIYMLLIJOSLVTQV-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.45
Rot. Bonds4

About 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine (PubChem CID 103372588) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine
PubChem CID103372588
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine
SMILESCC1CCCC(S(=O)CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-8-3-2-4-10(5-8)17(16)7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyIYMLLIJOSLVTQV-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-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

Related Compounds

3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-2-amine
CID 62720807
1,1,1-Trifluoro-2-(3-methylcyclohexyl)sulfanylpentan-3-amine
CID 62720808
3,3,3-Trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62721158
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 62721727
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
CID 81333618
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine
CID 103371675
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
CID 103372545
2-(Cyclohexylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372583
2-(Cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372593
4-[(3,3-Difluorocyclohexyl)methylsulfonyl]butan-2-amine
CID 114225517

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine (CID 103372588) is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine is CC1CCCC(S(=O)CC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine?
The InChIKey is IYMLLIJOSLVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8-3-2-4-10(5-8)17(16)7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine is sourced from PubChem (CID 103372588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).