2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

C12H25NO3S2 — CID 64676309

IUPAC2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S2/c1-9(2)10-4-5-11(13)12(8-10)17(14)6-7-18(3,15)16/h9-12H,4-8,13H2,1-3H3
InChIKeyRHMBMTABQSYPJN-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.93
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64676309) has the molecular formula C12H25NO3S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID64676309
Molecular FormulaC12H25NO3S2
Molecular Weight295.47 g/mol
Exact Mass295.13
IUPAC Name2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S2/c1-9(2)10-4-5-11(13)12(8-10)17(14)6-7-18(3,15)16/h9-12H,4-8,13H2,1-3H3
InChIKeyRHMBMTABQSYPJN-UHFFFAOYSA-N
XLogP0.93
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (CID 64676309) is 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(S(=O)CCS(C)(=O)=O)C1.
What is the InChIKey of 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RHMBMTABQSYPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S2/c1-9(2)10-4-5-11(13)12(8-10)17(14)6-7-18(3,15)16/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64676309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).