N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride

C7H14ClNO3S — CID 63726478

IUPACN-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
SMILESCN(CC1CCCOC1)S(=O)(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-9(13(8,10)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3
InChIKeyWCHCCJXOEMWCDJ-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.83
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride

N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride (PubChem CID 63726478) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
PubChem CID63726478
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
SMILESCN(CC1CCCOC1)S(=O)(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-9(13(8,10)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3
InChIKeyWCHCCJXOEMWCDJ-UHFFFAOYSA-N
XLogP0.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606386
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-1-sulfonamide
CID 131950651
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63725570
1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63707699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride (CID 63726478) is N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride is CN(CC1CCCOC1)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride?
The InChIKey is WCHCCJXOEMWCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-9(13(8,10)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride?
N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride has a molecular weight of 227.71 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride is sourced from PubChem (CID 63726478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).