1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine

C12H25NO2S — CID 81195289

IUPAC1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2S/c1-4-11(13)8-16(14,15)12-6-9(2)5-10(3)7-12/h9-12H,4-8,13H2,1-3H3
InChIKeyJOWQEVKQYWSGAQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.96
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine

1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine (PubChem CID 81195289) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine
PubChem CID81195289
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2S/c1-4-11(13)8-16(14,15)12-6-9(2)5-10(3)7-12/h9-12H,4-8,13H2,1-3H3
InChIKeyJOWQEVKQYWSGAQ-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine (CID 81195289) is 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine is CCC(N)CS(=O)(=O)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine?
The InChIKey is JOWQEVKQYWSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-11(13)8-16(14,15)12-6-9(2)5-10(3)7-12/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine?
1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)sulfonylbutan-2-amine is sourced from PubChem (CID 81195289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).