2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine

C15H22ClNOS — CID 103290291

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
SMILESNC(CS(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H22ClNOS/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7,10-11,17H2
InChIKeyNGRNPKAHVZOJQL-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.50
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine

2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine (PubChem CID 103290291) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
PubChem CID103290291
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
SMILESNC(CS(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H22ClNOS/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7,10-11,17H2
InChIKeyNGRNPKAHVZOJQL-UHFFFAOYSA-N
XLogP3.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 103290288
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
CID 61122791
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
CID 104753824
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
CID 103290458
1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
CID 104754082
N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
CID 142127663
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine (CID 103290291) is 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine is NC(CS(=O)Cc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine?
The InChIKey is NGRNPKAHVZOJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7,10-11,17H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine?
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine has a molecular weight of 299.87 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine is sourced from PubChem (CID 103290291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).