N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide

C12H17NO2S — CID 107028408

IUPACN-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCCO)C(S)Cc1ccccc1
InChIInChI=1S/C12H17NO2S/c14-8-4-7-13-12(15)11(16)9-10-5-2-1-3-6-10/h1-3,5-6,11,14,16H,4,7-9H2,(H,13,15)
InChIKeyKZVABYUQJUSVLX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.03
Rot. Bonds6

About N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide

N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107028408) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107028408
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCCO)C(S)Cc1ccccc1
InChIInChI=1S/C12H17NO2S/c14-8-4-7-13-12(15)11(16)9-10-5-2-1-3-6-10/h1-3,5-6,11,14,16H,4,7-9H2,(H,13,15)
InChIKeyKZVABYUQJUSVLX-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxopentanoate
CID 91928942
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenyl-2-sulfanylpropanamide
CID 107034274
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106410118
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide (CID 107028408) is N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide is O=C(NCCCO)C(S)Cc1ccccc1.
What is the InChIKey of N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is KZVABYUQJUSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-8-4-7-13-12(15)11(16)9-10-5-2-1-3-6-10/h1-3,5-6,11,14,16H,4,7-9H2,(H,13,15).
What are the key properties of N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107028408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).