N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide

C12H23NO2S — CID 97228051

IUPACN-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide
SMILESCC[S@](=O)CC(=O)NCCC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(15)10-12(14)13-9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,13,14)/t16-/m0/s1
InChIKeyIELCQYLIQBIXGM-INIZCTEOSA-N
MW245.39 g/mol
LogP1.84
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide

N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide (PubChem CID 97228051) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide
PubChem CID97228051
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide
SMILESCC[S@](=O)CC(=O)NCCC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(15)10-12(14)13-9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,13,14)/t16-/m0/s1
InChIKeyIELCQYLIQBIXGM-INIZCTEOSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
CID 97228059
methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
CID 115174490
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
N-(2-aminoethyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 81333288
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
4-amino-N-(2-cyclohexylethyl)-3,3-dimethylbutanamide
CID 115157434
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide (CID 97228051) is N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide is CC[S@](=O)CC(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide?
The InChIKey is IELCQYLIQBIXGM-INIZCTEOSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-16(15)10-12(14)13-9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,13,14)/t16-/m0/s1.
What are the key properties of N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide?
N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide has a molecular weight of 245.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide is sourced from PubChem (CID 97228051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).