3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine

C12H23NOS — CID 115720794

IUPAC3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
SMILESCS(=O)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H23NOS/c1-15(14)8-7-13-12-4-2-3-11(9-12)10-5-6-10/h10-13H,2-9H2,1H3
InChIKeyYCAMZRIJDQZOFW-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.92
Rot. Bonds5

About 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine

3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine (PubChem CID 115720794) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
PubChem CID115720794
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
SMILESCS(=O)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H23NOS/c1-15(14)8-7-13-12-4-2-3-11(9-12)10-5-6-10/h10-13H,2-9H2,1H3
InChIKeyYCAMZRIJDQZOFW-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64593896
3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 104859809
N-(2-cyclopentyloxyethyl)-3-cyclopropylcyclohexan-1-amine
CID 64624006
N-(3-methylsulfinylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448796
3-[(3-cyclopropylcyclohexyl)amino]-N-ethylpropanamide
CID 113409677
N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 64623379
3-cyclopropyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 64624615
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
CID 64623377
N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776965
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine (CID 115720794) is 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine is CS(=O)CCNC1CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine?
The InChIKey is YCAMZRIJDQZOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-15(14)8-7-13-12-4-2-3-11(9-12)10-5-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine?
3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine is sourced from PubChem (CID 115720794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).