N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride

C5H10ClNO4S2 — CID 43648696

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S2/c1-7(13(6,10)11)5-2-3-12(8,9)4-5/h5H,2-4H2,1H3
InChIKeyFHGYCADQYQRNIN-UHFFFAOYSA-N
MW247.72 g/mol
LogP-0.41
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride

N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride (PubChem CID 43648696) has the molecular formula C5H10ClNO4S2 and a molecular weight of 247.72 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride
PubChem CID43648696
Molecular FormulaC5H10ClNO4S2
Molecular Weight247.72 g/mol
Exact Mass246.97
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S2/c1-7(13(6,10)11)5-2-3-12(8,9)4-5/h5H,2-4H2,1H3
InChIKeyFHGYCADQYQRNIN-UHFFFAOYSA-N
XLogP-0.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride (CID 43648696) is N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride is CN(C1CCS(=O)(=O)C1)S(=O)(=O)Cl.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride?
The InChIKey is FHGYCADQYQRNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S2/c1-7(13(6,10)11)5-2-3-12(8,9)4-5/h5H,2-4H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride?
N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride has a molecular weight of 247.72 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylsulfamoyl chloride is sourced from PubChem (CID 43648696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).