N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide

C11H15NO2S — CID 107023651

IUPACN-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(14)12(2)5-6-13/h3-4,7,13,15H,5-6H2,1-2H3
InChIKeyGALZOYJZOUZBSD-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.35
Rot. Bonds3

About N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide

N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide (PubChem CID 107023651) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
PubChem CID107023651
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(14)12(2)5-6-13/h3-4,7,13,15H,5-6H2,1-2H3
InChIKeyGALZOYJZOUZBSD-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
CID 107033475
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966
N-butan-2-yl-N,2-dimethyl-5-sulfanylbenzamide
CID 107022481
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 65311429
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide (CID 107023651) is N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide?
The InChIKey is GALZOYJZOUZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(14)12(2)5-6-13/h3-4,7,13,15H,5-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide?
N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide is sourced from PubChem (CID 107023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).