N-methyl-4-methylsulfanylbenzamide

C9H11NOS — CID 4518228

IUPACN-methyl-4-methylsulfanylbenzamide
SMILESCNC(=O)c1ccc(SC)cc1
InChIInChI=1S/C9H11NOS/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
InChIKeyUTWKXHLTRDUFAC-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.77
Rot. Bonds2

About N-methyl-4-methylsulfanylbenzamide

N-methyl-4-methylsulfanylbenzamide (PubChem CID 4518228) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfanylbenzamide
PubChem CID4518228
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-methyl-4-methylsulfanylbenzamide
SMILESCNC(=O)c1ccc(SC)cc1
InChIInChI=1S/C9H11NOS/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
InChIKeyUTWKXHLTRDUFAC-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-methyl-4-methylsulfanylbenzamide (CID 4518228) is N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-methyl-4-methylsulfanylbenzamide is CNC(=O)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-4-methylsulfanylbenzamide?
The InChIKey is UTWKXHLTRDUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-methyl-4-methylsulfanylbenzamide?
N-methyl-4-methylsulfanylbenzamide has a molecular weight of 181.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 4518228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).