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

C11H20F3NO2S — CID 103372545

IUPAC3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
SMILESCC1CCCC(S(=O)(=O)CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8-3-2-4-10(5-8)18(16,17)7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyJCSJPGNYSWDSLU-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.12
Rot. Bonds4

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

3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine (PubChem CID 103372545) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
PubChem CID103372545
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
SMILESCC1CCCC(S(=O)(=O)CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8-3-2-4-10(5-8)18(16,17)7-9(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyJCSJPGNYSWDSLU-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
3,3,3-Trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62721158
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061841
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071820
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfinylbutan-1-amine
CID 81333618
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
CID 103312161
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfanylmethyl]propan-1-amine
CID 103371675
2-(Cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372542

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine (CID 103372545) is 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine is CC1CCCC(S(=O)(=O)CC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine?
The InChIKey is JCSJPGNYSWDSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8-3-2-4-10(5-8)18(16,17)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)sulfonylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine is sourced from PubChem (CID 103372545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).