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

C13H17NOS — CID 107019674

IUPACN-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCC1CC1)C(S)Cc1ccccc1
InChIInChI=1S/C13H17NOS/c15-13(14-9-11-6-7-11)12(16)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,14,15)
InChIKeyJQGUDBUHWGQATI-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.05
Rot. Bonds5

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

N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107019674) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107019674
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCC1CC1)C(S)Cc1ccccc1
InChIInChI=1S/C13H17NOS/c15-13(14-9-11-6-7-11)12(16)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,14,15)
InChIKeyJQGUDBUHWGQATI-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-sulfanyl-N-(thiolan-2-ylmethyl)propanamide
CID 107032830
N-[(1,1-dioxothiolan-2-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107032922
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenyl-2-sulfanylpropanamide
CID 107034274
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide (CID 107019674) is N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide is O=C(NCC1CC1)C(S)Cc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is JQGUDBUHWGQATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(14-9-11-6-7-11)12(16)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide?
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107019674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).