N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide

C15H21NO2S — CID 52992759

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide
SMILESCC(O)(CNC(=O)CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-15(18,12-7-8-12)11-16-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17)
InChIKeyJLNOTDSAYLMAGL-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.45
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide

N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide (PubChem CID 52992759) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide
PubChem CID52992759
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide
SMILESCC(O)(CNC(=O)CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-15(18,12-7-8-12)11-16-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17)
InChIKeyJLNOTDSAYLMAGL-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 61136612
(2S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 61136773
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
N-((1-(hydroxymethyl)cyclopropyl)methyl)-3-(phenylthio)propanamide
CID 49739142
N-[(R)-2-cyclopropyl-2-hydroxypropyl](benzylthio)acetamide
CID 52907093
N-(2-cyclopropyl-2-hydroxypropyl)-2-(thiophen-2-yl)acetamide
CID 52992730
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-(phenylsulfonyl)propanamide
CID 71787324
N-(3-hydroxy-4,4-dimethylpentyl)-3-(phenylthio)propanamide
CID 71787593
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]3-(phenylthio)propionamide
CID 95984351
N-[(S)-3-cyclopropyl-3-hydroxypropyl]3-(phenylthio)propionamide
CID 96349889
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}3-(phenylthio)propionamide
CID 97414638
3-Hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one
CID 54724635

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide (CID 52992759) is N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide is CC(O)(CNC(=O)CCSc1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide?
The InChIKey is JLNOTDSAYLMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18,12-7-8-12)11-16-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide?
N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide has a molecular weight of 279.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 52992759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).