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

C11H20F3NO2S — CID 64697037

IUPAC4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
SMILESCC1CCCC(S(=O)(=O)C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8-3-2-4-9(7-8)18(16,17)10(5-6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyURAZINYMMOQGLM-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.26
Rot. Bonds4

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

4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine (PubChem CID 64697037) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
PubChem CID64697037
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
SMILESCC1CCCC(S(=O)(=O)C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8-3-2-4-9(7-8)18(16,17)10(5-6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyURAZINYMMOQGLM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine (CID 64697037) is 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine is CC1CCCC(S(=O)(=O)C(CCN)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine?
The InChIKey is URAZINYMMOQGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8-3-2-4-9(7-8)18(16,17)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)sulfonylbutan-1-amine?
4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine is sourced from PubChem (CID 64697037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).