N-[(4-methylsulfinylphenyl)methyl]formamide

C9H11NO2S — CID 144669609

IUPACN-[(4-methylsulfinylphenyl)methyl]formamide
SMILESCS(=O)c1ccc(CNC=O)cc1
InChIInChI=1S/C9H11NO2S/c1-13(12)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyMVSYYFVOCXNKMX-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.67
Rot. Bonds4

About N-[(4-methylsulfinylphenyl)methyl]formamide

N-[(4-methylsulfinylphenyl)methyl]formamide (PubChem CID 144669609) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(4-methylsulfinylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-methylsulfinylphenyl)methyl]formamide
PubChem CID144669609
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-[(4-methylsulfinylphenyl)methyl]formamide
SMILESCS(=O)c1ccc(CNC=O)cc1
InChIInChI=1S/C9H11NO2S/c1-13(12)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyMVSYYFVOCXNKMX-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfinylphenyl)methyl]formamide?
The IUPAC name of N-[(4-methylsulfinylphenyl)methyl]formamide (CID 144669609) is N-[(4-methylsulfinylphenyl)methyl]formamide.
What is the SMILES notation for N-[(4-methylsulfinylphenyl)methyl]formamide?
The canonical SMILES for N-[(4-methylsulfinylphenyl)methyl]formamide is CS(=O)c1ccc(CNC=O)cc1.
What is the InChIKey of N-[(4-methylsulfinylphenyl)methyl]formamide?
The InChIKey is MVSYYFVOCXNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13(12)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11).
What are the key properties of N-[(4-methylsulfinylphenyl)methyl]formamide?
N-[(4-methylsulfinylphenyl)methyl]formamide has a molecular weight of 197.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfinylphenyl)methyl]formamide is sourced from PubChem (CID 144669609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).