N-methyl-2-phenylsulfanylacetamide

C9H11NOS — CID 965608

IUPACN-methyl-2-phenylsulfanylacetamide
SMILESCNC(=O)CSc1ccccc1
InChIInChI=1S/C9H11NOS/c1-10-9(11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyLYMABPNSLUJBOK-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-2-phenylsulfanylacetamide

N-methyl-2-phenylsulfanylacetamide (PubChem CID 965608) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanylacetamide
PubChem CID965608
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-methyl-2-phenylsulfanylacetamide
SMILESCNC(=O)CSc1ccccc1
InChIInChI=1S/C9H11NOS/c1-10-9(11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyLYMABPNSLUJBOK-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-2-phenylsulfanylacetamide (CID 965608) is N-methyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-2-phenylsulfanylacetamide is CNC(=O)CSc1ccccc1.
What is the InChIKey of N-methyl-2-phenylsulfanylacetamide?
The InChIKey is LYMABPNSLUJBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-10-9(11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of N-methyl-2-phenylsulfanylacetamide?
N-methyl-2-phenylsulfanylacetamide has a molecular weight of 181.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 965608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).