N-methyl-N-(methylsulfonylcarbamoylamino)formamide

C4H9N3O4S — CID 167179973

IUPACN-methyl-N-(methylsulfonylcarbamoylamino)formamide
SMILESCN(C=O)NC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H9N3O4S/c1-7(3-8)5-4(9)6-12(2,10)11/h3H,1-2H3,(H2,5,6,9)
InChIKeyROKMXWIOTLLPOV-UHFFFAOYSA-N
MW195.20 g/mol
LogP-1.75
Rot. Bonds3

About N-methyl-N-(methylsulfonylcarbamoylamino)formamide

N-methyl-N-(methylsulfonylcarbamoylamino)formamide (PubChem CID 167179973) has the molecular formula C4H9N3O4S and a molecular weight of 195.20 g/mol. Its IUPAC name is N-methyl-N-(methylsulfonylcarbamoylamino)formamide.

Molecular Properties

Compound NameN-methyl-N-(methylsulfonylcarbamoylamino)formamide
PubChem CID167179973
Molecular FormulaC4H9N3O4S
Molecular Weight195.20 g/mol
Exact Mass195.03
IUPAC NameN-methyl-N-(methylsulfonylcarbamoylamino)formamide
SMILESCN(C=O)NC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H9N3O4S/c1-7(3-8)5-4(9)6-12(2,10)11/h3H,1-2H3,(H2,5,6,9)
InChIKeyROKMXWIOTLLPOV-UHFFFAOYSA-N
XLogP-1.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-(methylsulfonylcarbamoylamino)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfonyl-3-sulfanylurea
CID 149493043
1-methyl-3-methylsulfonyl-1-sulfamoylurea
CID 91357985
1-dodecyl-3-methylsulfonylurea
CID 87913843
methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate
CID 163424896
5-amino-N-methylsulfonylpentanamide
CID 103287281
1,1-dimethyl-3-methylsulfonyl-2-propan-2-ylguanidine
CID 176869640
(E)-4-amino-N-methylsulfonylbut-2-enamide
CID 130533357
2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide
CID 163668861
N-[(1Z)-1-[bromo(methyl)amino]-1-methoxybuta-1,3-dien-2-yl]methanesulfonamide
CID 166853107
CID 163486287
CID 163486287
lithium;N,N-dimethylformamide;iodide
CID 161014546
N-hydroxyformamide;methanesulfonic acid
CID 174740545

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylsulfonylcarbamoylamino)formamide?
The IUPAC name of N-methyl-N-(methylsulfonylcarbamoylamino)formamide (CID 167179973) is N-methyl-N-(methylsulfonylcarbamoylamino)formamide.
What is the SMILES notation for N-methyl-N-(methylsulfonylcarbamoylamino)formamide?
The canonical SMILES for N-methyl-N-(methylsulfonylcarbamoylamino)formamide is CN(C=O)NC(=O)NS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(methylsulfonylcarbamoylamino)formamide?
The InChIKey is ROKMXWIOTLLPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O4S/c1-7(3-8)5-4(9)6-12(2,10)11/h3H,1-2H3,(H2,5,6,9).
What are the key properties of N-methyl-N-(methylsulfonylcarbamoylamino)formamide?
N-methyl-N-(methylsulfonylcarbamoylamino)formamide has a molecular weight of 195.20 g/mol, XLogP of -1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylsulfonylcarbamoylamino)formamide is sourced from PubChem (CID 167179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).