3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine

C11H23NO2S — CID 81186418

IUPAC3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine
SMILESCC1CC(C)CC(S(=O)(=O)CCCN)C1
InChIInChI=1S/C11H23NO2S/c1-9-6-10(2)8-11(7-9)15(13,14)5-3-4-12/h9-11H,3-8,12H2,1-2H3
InChIKeyUTNKPNJNQDHRCA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.57
Rot. Bonds4

About 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine

3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine (PubChem CID 81186418) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine
PubChem CID81186418
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine
SMILESCC1CC(C)CC(S(=O)(=O)CCCN)C1
InChIInChI=1S/C11H23NO2S/c1-9-6-10(2)8-11(7-9)15(13,14)5-3-4-12/h9-11H,3-8,12H2,1-2H3
InChIKeyUTNKPNJNQDHRCA-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine (CID 81186418) is 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine is CC1CC(C)CC(S(=O)(=O)CCCN)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine?
The InChIKey is UTNKPNJNQDHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9-6-10(2)8-11(7-9)15(13,14)5-3-4-12/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine?
3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)sulfonylpropan-1-amine is sourced from PubChem (CID 81186418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).