N-methyl-N-(phenylsulfanylmethyl)acetamide

C10H13NOS — CID 102103307

IUPACN-methyl-N-(phenylsulfanylmethyl)acetamide
SMILESCC(=O)N(C)CSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-9(12)11(2)8-13-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyLKZDIBXDIFDORQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-N-(phenylsulfanylmethyl)acetamide

N-methyl-N-(phenylsulfanylmethyl)acetamide (PubChem CID 102103307) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-methyl-N-(phenylsulfanylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(phenylsulfanylmethyl)acetamide
PubChem CID102103307
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-methyl-N-(phenylsulfanylmethyl)acetamide
SMILESCC(=O)N(C)CSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-9(12)11(2)8-13-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyLKZDIBXDIFDORQ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(phenylsulfanylmethyl)acetamide?
The IUPAC name of N-methyl-N-(phenylsulfanylmethyl)acetamide (CID 102103307) is N-methyl-N-(phenylsulfanylmethyl)acetamide.
What is the SMILES notation for N-methyl-N-(phenylsulfanylmethyl)acetamide?
The canonical SMILES for N-methyl-N-(phenylsulfanylmethyl)acetamide is CC(=O)N(C)CSc1ccccc1.
What is the InChIKey of N-methyl-N-(phenylsulfanylmethyl)acetamide?
The InChIKey is LKZDIBXDIFDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-9(12)11(2)8-13-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-(phenylsulfanylmethyl)acetamide?
N-methyl-N-(phenylsulfanylmethyl)acetamide has a molecular weight of 195.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(phenylsulfanylmethyl)acetamide is sourced from PubChem (CID 102103307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).