N-methyl-N-methylsulfinylformamide

C3H7NO2S — CID 144847598

IUPACN-methyl-N-methylsulfinylformamide
SMILESCN(C=O)S(C)=O
InChIInChI=1S/C3H7NO2S/c1-4(3-5)7(2)6/h3H,1-2H3
InChIKeyLJWPPUSFJOOHTR-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.63
Rot. Bonds2

About N-methyl-N-methylsulfinylformamide

N-methyl-N-methylsulfinylformamide (PubChem CID 144847598) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is N-methyl-N-methylsulfinylformamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfinylformamide
PubChem CID144847598
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC NameN-methyl-N-methylsulfinylformamide
SMILESCN(C=O)S(C)=O
InChIInChI=1S/C3H7NO2S/c1-4(3-5)7(2)6/h3H,1-2H3
InChIKeyLJWPPUSFJOOHTR-UHFFFAOYSA-N
XLogP-0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
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-methyl-N-methylsulfinylformamide?
The IUPAC name of N-methyl-N-methylsulfinylformamide (CID 144847598) is N-methyl-N-methylsulfinylformamide.
What is the SMILES notation for N-methyl-N-methylsulfinylformamide?
The canonical SMILES for N-methyl-N-methylsulfinylformamide is CN(C=O)S(C)=O.
What is the InChIKey of N-methyl-N-methylsulfinylformamide?
The InChIKey is LJWPPUSFJOOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-4(3-5)7(2)6/h3H,1-2H3.
What are the key properties of N-methyl-N-methylsulfinylformamide?
N-methyl-N-methylsulfinylformamide has a molecular weight of 121.16 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfinylformamide is sourced from PubChem (CID 144847598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).