3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine

C11H23NOS — CID 81200825

IUPAC3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(7-12)8-14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3
InChIKeyISBQXECLSHJBRZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.91
Rot. Bonds5

About 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine

3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine (PubChem CID 81200825) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
PubChem CID81200825
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(7-12)8-14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3
InChIKeyISBQXECLSHJBRZ-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethylsulfinyl)-2-methylpropan-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

Related Compounds

2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
CID 64656891
2-methylpropylsulfinylmethylcyclopropane
CID 21018607
3-(cyclohexylmethylsulfinyl)butan-1-amine
CID 81195369
2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine
CID 107914509
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
4-(cyclopentylmethylsulfinyl)-3-(methylamino)butan-1-ol
CID 64929912
3-(methoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81202164
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
CID 64655468

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine (CID 81200825) is 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine is CC(CN)CS(=O)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine?
The InChIKey is ISBQXECLSHJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(7-12)8-14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine?
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81200825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).