5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide

C12H17NO2S — CID 79199002

IUPAC5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
SMILESCSc1ccccc1NC(=O)CCCCO
InChIInChI=1S/C12H17NO2S/c1-16-11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyVYJYRRMDLOZSQL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.51
Rot. Bonds6

About 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide

5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide (PubChem CID 79199002) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
PubChem CID79199002
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
SMILESCSc1ccccc1NC(=O)CCCCO
InChIInChI=1S/C12H17NO2S/c1-16-11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyVYJYRRMDLOZSQL-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 115669636
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
19-[2-(3-carboxypropylsulfanyl)anilino]-19-oxononadecanoic acid
CID 18796193
13-[2-(3-carboxypropylsulfanyl)anilino]-13-oxotridecanoic acid
CID 18795732
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide (CID 79199002) is 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide is CSc1ccccc1NC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide?
The InChIKey is VYJYRRMDLOZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16-11-7-3-2-6-10(11)13-12(15)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,13,15).
What are the key properties of 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide?
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide has a molecular weight of 239.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide is sourced from PubChem (CID 79199002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).