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

C13H19NO2S — CID 62335552

IUPACN-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
SMILESCC(O)CN(C)C(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(15)10-14(2)13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyUEMOPBNWFQFPMQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.01
Rot. Bonds6

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

N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide (PubChem CID 62335552) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
PubChem CID62335552
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
SMILESCC(O)CN(C)C(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(15)10-14(2)13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyUEMOPBNWFQFPMQ-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62334608
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 79291613
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
methyl 2-[3-phenylsulfanylpropanoyl(propan-2-yl)amino]acetate
CID 60767024
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide (CID 62335552) is N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide is CC(O)CN(C)C(=O)CCSc1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide?
The InChIKey is UEMOPBNWFQFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(15)10-14(2)13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide?
N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 62335552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).