3-methyl-N-methylsulfinylbenzamide

C9H11NO2S — CID 122549811

IUPAC3-methyl-N-methylsulfinylbenzamide
SMILESCc1cccc(C(=O)NS(C)=O)c1
InChIInChI=1S/C9H11NO2S/c1-7-4-3-5-8(6-7)9(11)10-13(2)12/h3-6H,1-2H3,(H,10,11)
InChIKeyCKOYHRPQRMAWNK-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.02
Rot. Bonds2

About 3-methyl-N-methylsulfinylbenzamide

3-methyl-N-methylsulfinylbenzamide (PubChem CID 122549811) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-methyl-N-methylsulfinylbenzamide.

Molecular Properties

Compound Name3-methyl-N-methylsulfinylbenzamide
PubChem CID122549811
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3-methyl-N-methylsulfinylbenzamide
SMILESCc1cccc(C(=O)NS(C)=O)c1
InChIInChI=1S/C9H11NO2S/c1-7-4-3-5-8(6-7)9(11)10-13(2)12/h3-6H,1-2H3,(H,10,11)
InChIKeyCKOYHRPQRMAWNK-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-methylsulfinylmethanone
CID 87156160
bis(3-methylphenyl)methanone
CID 17848
N-cyano-3-methylbenzamide
CID 79195079
3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfinylbenzamide?
The IUPAC name of 3-methyl-N-methylsulfinylbenzamide (CID 122549811) is 3-methyl-N-methylsulfinylbenzamide.
What is the SMILES notation for 3-methyl-N-methylsulfinylbenzamide?
The canonical SMILES for 3-methyl-N-methylsulfinylbenzamide is Cc1cccc(C(=O)NS(C)=O)c1.
What is the InChIKey of 3-methyl-N-methylsulfinylbenzamide?
The InChIKey is CKOYHRPQRMAWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7-4-3-5-8(6-7)9(11)10-13(2)12/h3-6H,1-2H3,(H,10,11).
What are the key properties of 3-methyl-N-methylsulfinylbenzamide?
3-methyl-N-methylsulfinylbenzamide has a molecular weight of 197.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfinylbenzamide is sourced from PubChem (CID 122549811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).