N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide

C11H15NO2S — CID 107028256

IUPACN-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccccc1S
InChIInChI=1S/C11H15NO2S/c1-8(13)7-12(2)11(14)9-5-3-4-6-10(9)15/h3-6,8,13,15H,7H2,1-2H3
InChIKeyLQUSZOCEVDVDDX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.43
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide

N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide (PubChem CID 107028256) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
PubChem CID107028256
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccccc1S
InChIInChI=1S/C11H15NO2S/c1-8(13)7-12(2)11(14)9-5-3-4-6-10(9)15/h3-6,8,13,15H,7H2,1-2H3
InChIKeyLQUSZOCEVDVDDX-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-sulfanylbenzamide
CID 107031679
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide (CID 107028256) is N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide is CC(O)CN(C)C(=O)c1ccccc1S.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide?
The InChIKey is LQUSZOCEVDVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(13)7-12(2)11(14)9-5-3-4-6-10(9)15/h3-6,8,13,15H,7H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide?
N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 107028256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).