2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine

C12H25NOS — CID 79846886

IUPAC2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCC(C)CS(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C12H25NOS/c1-9(2)8-15(14)10-6-5-7-12(3,4)11(10)13/h9-11H,5-8,13H2,1-4H3
InChIKeyDHBXJBDLDRIARD-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.30
Rot. Bonds3

About 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine

2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine (PubChem CID 79846886) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine
PubChem CID79846886
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCC(C)CS(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C12H25NOS/c1-9(2)8-15(14)10-6-5-7-12(3,4)11(10)13/h9-11H,5-8,13H2,1-4H3
InChIKeyDHBXJBDLDRIARD-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine (CID 79846886) is 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine is CC(C)CS(=O)C1CCCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The InChIKey is DHBXJBDLDRIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)8-15(14)10-6-5-7-12(3,4)11(10)13/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine?
2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 79846886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).