2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine

C12H25NO2S — CID 64775395

IUPAC2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCCS(C)(=O)=O)C1C
InChIInChI=1S/C12H25NO2S/c1-10-6-4-7-12(13,11(10)2)8-5-9-16(3,14)15/h10-11H,4-9,13H2,1-3H3
InChIKeySKKMCGGAOBQNOO-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.96
Rot. Bonds4

About 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine

2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 64775395) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
PubChem CID64775395
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCCS(C)(=O)=O)C1C
InChIInChI=1S/C12H25NO2S/c1-10-6-4-7-12(13,11(10)2)8-5-9-16(3,14)15/h10-11H,4-9,13H2,1-3H3
InChIKeySKKMCGGAOBQNOO-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 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine (CID 64775395) is 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine is CC1CCCC(N)(CCCS(C)(=O)=O)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is SKKMCGGAOBQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10-6-4-7-12(13,11(10)2)8-5-9-16(3,14)15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-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 2,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64775395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).