N-methyl-3-[methyl(sulfanyl)amino]benzamide

C9H12N2OS — CID 175836337

IUPACN-methyl-3-[methyl(sulfanyl)amino]benzamide
SMILESCNC(=O)c1cccc(N(C)S)c1
InChIInChI=1S/C9H12N2OS/c1-10-9(12)7-4-3-5-8(6-7)11(2)13/h3-6,13H,1-2H3,(H,10,12)
InChIKeyXENGIQLWSWVSJV-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.33
Rot. Bonds2

About N-methyl-3-[methyl(sulfanyl)amino]benzamide

N-methyl-3-[methyl(sulfanyl)amino]benzamide (PubChem CID 175836337) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-methyl-3-[methyl(sulfanyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(sulfanyl)amino]benzamide
PubChem CID175836337
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-methyl-3-[methyl(sulfanyl)amino]benzamide
SMILESCNC(=O)c1cccc(N(C)S)c1
InChIInChI=1S/C9H12N2OS/c1-10-9(12)7-4-3-5-8(6-7)11(2)13/h3-6,13H,1-2H3,(H,10,12)
InChIKeyXENGIQLWSWVSJV-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.33
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

3-[iodo(methyl)amino]-N-methylbenzamide
CID 146943364
N-methylbenzamide
CID 11954
N-methyl-3-nitrosobenzamide
CID 89195541
3-ethyl-N-methylbenzamide
CID 59115297
2-[[3-[benzyl(methyl)amino]benzoyl]amino]-N-methylbenzamide
CID 110606707
2-[3-[[3-(dimethylamino)benzoyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550453
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(sulfanyl)amino]benzamide?
The IUPAC name of N-methyl-3-[methyl(sulfanyl)amino]benzamide (CID 175836337) is N-methyl-3-[methyl(sulfanyl)amino]benzamide.
What is the SMILES notation for N-methyl-3-[methyl(sulfanyl)amino]benzamide?
The canonical SMILES for N-methyl-3-[methyl(sulfanyl)amino]benzamide is CNC(=O)c1cccc(N(C)S)c1.
What is the InChIKey of N-methyl-3-[methyl(sulfanyl)amino]benzamide?
The InChIKey is XENGIQLWSWVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-10-9(12)7-4-3-5-8(6-7)11(2)13/h3-6,13H,1-2H3,(H,10,12).
What are the key properties of N-methyl-3-[methyl(sulfanyl)amino]benzamide?
N-methyl-3-[methyl(sulfanyl)amino]benzamide has a molecular weight of 196.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(sulfanyl)amino]benzamide is sourced from PubChem (CID 175836337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).