2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C13H23NO2S — CID 103798785

IUPAC2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2S/c1-10(12(9-15)17-2)14-13(16)8-11-6-4-3-5-7-11/h6,10,12,15H,3-5,7-9H2,1-2H3,(H,14,16)
InChIKeyLUOBQDRJRUOHJE-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.11
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798785) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798785
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2S/c1-10(12(9-15)17-2)14-13(16)8-11-6-4-3-5-7-11/h6,10,12,15H,3-5,7-9H2,1-2H3,(H,14,16)
InChIKeyLUOBQDRJRUOHJE-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
2-cyclopentylidene-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247758
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
CID 65193722
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798755
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
CID 63564596
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798785) is 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is LUOBQDRJRUOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-10(12(9-15)17-2)14-13(16)8-11-6-4-3-5-7-11/h6,10,12,15H,3-5,7-9H2,1-2H3,(H,14,16).
What are the key properties of 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 257.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).