N-methyl-1-methylsulfinamoylformamide

C3H8N2O2S — CID 90051569

IUPACN-methyl-1-methylsulfinamoylformamide
SMILESCNC(=O)S(=O)NC
InChIInChI=1S/C3H8N2O2S/c1-4-3(6)8(7)5-2/h5H,1-2H3,(H,4,6)
InChIKeyLPBAMPSPHGHPJD-UHFFFAOYSA-N
MW136.18 g/mol
LogP-0.79
Rot. Bonds1

About N-methyl-1-methylsulfinamoylformamide

N-methyl-1-methylsulfinamoylformamide (PubChem CID 90051569) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is N-methyl-1-methylsulfinamoylformamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfinamoylformamide
PubChem CID90051569
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC NameN-methyl-1-methylsulfinamoylformamide
SMILESCNC(=O)S(=O)NC
InChIInChI=1S/C3H8N2O2S/c1-4-3(6)8(7)5-2/h5H,1-2H3,(H,4,6)
InChIKeyLPBAMPSPHGHPJD-UHFFFAOYSA-N
XLogP-0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfinamoylformamide?
The IUPAC name of N-methyl-1-methylsulfinamoylformamide (CID 90051569) is N-methyl-1-methylsulfinamoylformamide.
What is the SMILES notation for N-methyl-1-methylsulfinamoylformamide?
The canonical SMILES for N-methyl-1-methylsulfinamoylformamide is CNC(=O)S(=O)NC.
What is the InChIKey of N-methyl-1-methylsulfinamoylformamide?
The InChIKey is LPBAMPSPHGHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-4-3(6)8(7)5-2/h5H,1-2H3,(H,4,6).
What are the key properties of N-methyl-1-methylsulfinamoylformamide?
N-methyl-1-methylsulfinamoylformamide has a molecular weight of 136.18 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfinamoylformamide is sourced from PubChem (CID 90051569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).