N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide

C12H17NO2S — CID 149225632

IUPACN-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(CCO)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(16)12(15)13-11(7-8-14)10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3,(H,13,15)
InChIKeyXJHPCCDWFDRKEO-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.54
Rot. Bonds5

About N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide

N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide (PubChem CID 149225632) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
PubChem CID149225632
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(CCO)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(16)12(15)13-11(7-8-14)10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3,(H,13,15)
InChIKeyXJHPCCDWFDRKEO-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 109499744
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide (CID 149225632) is N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide is CC(S)C(=O)NC(CCO)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide?
The InChIKey is XJHPCCDWFDRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(16)12(15)13-11(7-8-14)10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide?
N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 149225632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).