N-methyl-N-(oxan-4-yl)sulfamoyl chloride

C6H12ClNO3S — CID 43611014

IUPACN-methyl-N-(oxan-4-yl)sulfamoyl chloride
SMILESCN(C1CCOCC1)S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-8(12(7,9)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3
InChIKeyZWWBGYONISXJSE-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)sulfamoyl chloride

N-methyl-N-(oxan-4-yl)sulfamoyl chloride (PubChem CID 43611014) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)sulfamoyl chloride
PubChem CID43611014
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC NameN-methyl-N-(oxan-4-yl)sulfamoyl chloride
SMILESCN(C1CCOCC1)S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-8(12(7,9)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3
InChIKeyZWWBGYONISXJSE-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)sulfamoyl chloride?
The IUPAC name of N-methyl-N-(oxan-4-yl)sulfamoyl chloride (CID 43611014) is N-methyl-N-(oxan-4-yl)sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)sulfamoyl chloride?
The canonical SMILES for N-methyl-N-(oxan-4-yl)sulfamoyl chloride is CN(C1CCOCC1)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-(oxan-4-yl)sulfamoyl chloride?
The InChIKey is ZWWBGYONISXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-8(12(7,9)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)sulfamoyl chloride?
N-methyl-N-(oxan-4-yl)sulfamoyl chloride has a molecular weight of 213.69 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)sulfamoyl chloride is sourced from PubChem (CID 43611014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).