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

C11H20F3NS — CID 103371675

IUPAC3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine
SMILESCC1CCCC(SCC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-8-3-2-4-10(5-8)16-7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyISGUQKKGVAELID-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.44
Rot. Bonds4

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

3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine (PubChem CID 103371675) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine
PubChem CID103371675
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine
SMILESCC1CCCC(SCC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-8-3-2-4-10(5-8)16-7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyISGUQKKGVAELID-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluoro-2-methylcyclohexyl)sulfanylethanamine
CID 141789671
2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55111599
2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine
CID 62720495
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)sulfinylbutan-1-amine
CID 81333618
2-(Cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371661
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
CID 103372545
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfinylmethyl]propan-1-amine
CID 103372588
3,3-Difluoro-3-(thian-3-yl)propan-1-amine
CID 105449349

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine (CID 103371675) is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine is CC1CCCC(SCC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine?
The InChIKey is ISGUQKKGVAELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-8-3-2-4-10(5-8)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)sulfanylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.44, 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)sulfanylmethyl]propan-1-amine is sourced from PubChem (CID 103371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).