3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine

C10H18F3NS — CID 62721158

IUPAC3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCC1CCCC(SC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7-3-2-4-8(5-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyRDRGSBRYMOBMOE-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.19
Rot. Bonds3

About 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine

3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine (PubChem CID 62721158) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
PubChem CID62721158
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCC1CCCC(SC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7-3-2-4-8(5-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyRDRGSBRYMOBMOE-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine (CID 62721158) is 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine is CC1CCCC(SC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The InChIKey is RDRGSBRYMOBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-7-3-2-4-8(5-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
3,3,3-trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.19, 3 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)sulfanylpropan-1-amine is sourced from PubChem (CID 62721158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).