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

C11H23NO2S — CID 64775377

IUPAC2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCS(C)(=O)=O)C1C
InChIInChI=1S/C11H23NO2S/c1-9-5-4-6-11(12,10(9)2)7-8-15(3,13)14/h9-10H,4-8,12H2,1-3H3
InChIKeyPNUBDASQWOQEHK-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.57
Rot. Bonds3

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

2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 64775377) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID64775377
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(CCS(C)(=O)=O)C1C
InChIInChI=1S/C11H23NO2S/c1-9-5-4-6-11(12,10(9)2)7-8-15(3,13)14/h9-10H,4-8,12H2,1-3H3
InChIKeyPNUBDASQWOQEHK-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 64775377) is 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine is CC1CCCC(N)(CCS(C)(=O)=O)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is PNUBDASQWOQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9-5-4-6-11(12,10(9)2)7-8-15(3,13)14/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine?
2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 64775377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).