N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide

C13H17NO2S — CID 113371986

IUPACN-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(CO)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H17NO2S/c1-9(13(16)14-11-4-5-11)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,14,16)
InChIKeyHHPGGVVNFGCYLQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.94
Rot. Bonds5

About N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide

N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide (PubChem CID 113371986) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
PubChem CID113371986
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(CO)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H17NO2S/c1-9(13(16)14-11-4-5-11)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,14,16)
InChIKeyHHPGGVVNFGCYLQ-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide (CID 113371986) is N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide is CC(Sc1ccc(CO)cc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide?
The InChIKey is HHPGGVVNFGCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(13(16)14-11-4-5-11)17-12-6-2-10(8-15)3-7-12/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide?
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 113371986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).