2-(cyclohexylmethylsulfinyl)ethanamine

C9H19NOS — CID 58684182

IUPAC2-(cyclohexylmethylsulfinyl)ethanamine
SMILESNCCS(=O)CC1CCCCC1
InChIInChI=1S/C9H19NOS/c10-6-7-12(11)8-9-4-2-1-3-5-9/h9H,1-8,10H2
InChIKeyKSBIMKXNOOWDQT-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds4

About 2-(cyclohexylmethylsulfinyl)ethanamine

2-(cyclohexylmethylsulfinyl)ethanamine (PubChem CID 58684182) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfinyl)ethanamine
PubChem CID58684182
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(cyclohexylmethylsulfinyl)ethanamine
SMILESNCCS(=O)CC1CCCCC1
InChIInChI=1S/C9H19NOS/c10-6-7-12(11)8-9-4-2-1-3-5-9/h9H,1-8,10H2
InChIKeyKSBIMKXNOOWDQT-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
2-[(1-methylsulfonylpiperidin-3-yl)methylsulfinyl]ethanamine
CID 81175130
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
3-(cyclohexylmethylsulfinyl)butan-1-amine
CID 81195369
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
CID 64655468
N-(2-aminoethyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 81333288
5-(cyclopentylmethylsulfinyl)pentanenitrile
CID 64698774
cyclohexylmethanesulfinate
CID 57427117
cyclohexylmethanesulfinyl chloride
CID 130879952
2-cyclopentylsulfinylethanamine
CID 58684642
[4-[3-(cyclopentylmethylsulfinyl)propoxy]phenyl]methanamine
CID 81334034
cyclobutylmethanesulfinamide
CID 143912187

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfinyl)ethanamine?
The IUPAC name of 2-(cyclohexylmethylsulfinyl)ethanamine (CID 58684182) is 2-(cyclohexylmethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethylsulfinyl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethylsulfinyl)ethanamine is NCCS(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfinyl)ethanamine?
The InChIKey is KSBIMKXNOOWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-6-7-12(11)8-9-4-2-1-3-5-9/h9H,1-8,10H2.
What are the key properties of 2-(cyclohexylmethylsulfinyl)ethanamine?
2-(cyclohexylmethylsulfinyl)ethanamine has a molecular weight of 189.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfinyl)ethanamine is sourced from PubChem (CID 58684182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).