2-hydroxysulfanyl-N-methylbenzamide

C8H9NO2S — CID 91017491

IUPAC2-hydroxysulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1SO
InChIInChI=1S/C8H9NO2S/c1-9-8(10)6-4-2-3-5-7(6)12-11/h2-5,11H,1H3,(H,9,10)
InChIKeyKQRSVBBHKKDXMV-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.61
Rot. Bonds2

About 2-hydroxysulfanyl-N-methylbenzamide

2-hydroxysulfanyl-N-methylbenzamide (PubChem CID 91017491) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-hydroxysulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxysulfanyl-N-methylbenzamide
PubChem CID91017491
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-hydroxysulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1SO
InChIInChI=1S/C8H9NO2S/c1-9-8(10)6-4-2-3-5-7(6)12-11/h2-5,11H,1H3,(H,9,10)
InChIKeyKQRSVBBHKKDXMV-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
CID 126714262
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
CID 169439235
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
CID 10638032
8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-methoxy-N-methyl-3-methylsulfanylbenzamide
CID 69493076
2-[bis(trimethylsilyl)methyl]-N-methylbenzamide
CID 10637506
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-N-methylbenzamide?
The IUPAC name of 2-hydroxysulfanyl-N-methylbenzamide (CID 91017491) is 2-hydroxysulfanyl-N-methylbenzamide.
What is the SMILES notation for 2-hydroxysulfanyl-N-methylbenzamide?
The canonical SMILES for 2-hydroxysulfanyl-N-methylbenzamide is CNC(=O)c1ccccc1SO.
What is the InChIKey of 2-hydroxysulfanyl-N-methylbenzamide?
The InChIKey is KQRSVBBHKKDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-9-8(10)6-4-2-3-5-7(6)12-11/h2-5,11H,1H3,(H,9,10).
What are the key properties of 2-hydroxysulfanyl-N-methylbenzamide?
2-hydroxysulfanyl-N-methylbenzamide has a molecular weight of 183.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-N-methylbenzamide is sourced from PubChem (CID 91017491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).