N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride

C6H13ClN2O2S — CID 164656969

IUPACN-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride
SMILESCN1CC(CN(C)S(=O)(=O)Cl)C1
InChIInChI=1S/C6H13ClN2O2S/c1-8-3-6(4-8)5-9(2)12(7,10)11/h6H,3-5H2,1-2H3
InChIKeyHPFYWGAZUHRMTO-UHFFFAOYSA-N
MW212.70 g/mol
LogP-0.04
Rot. Bonds3

About N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride

N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride (PubChem CID 164656969) has the molecular formula C6H13ClN2O2S and a molecular weight of 212.70 g/mol. Its IUPAC name is N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride
PubChem CID164656969
Molecular FormulaC6H13ClN2O2S
Molecular Weight212.70 g/mol
Exact Mass212.04
IUPAC NameN-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride
SMILESCN1CC(CN(C)S(=O)(=O)Cl)C1
InChIInChI=1S/C6H13ClN2O2S/c1-8-3-6(4-8)5-9(2)12(7,10)11/h6H,3-5H2,1-2H3
InChIKeyHPFYWGAZUHRMTO-UHFFFAOYSA-N
XLogP-0.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
(1-methylazetidin-3-yl)methanesulfonamide
CID 167468977
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
CID 63275597
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 63274278
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
CID 117267784
N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
CID 119981830
N-[(1-iodoazetidin-3-yl)methyl]-N-methylbenzenesulfonamide
CID 139296803
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
CID 131935320
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275642
5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97318384

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride?
The IUPAC name of N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride (CID 164656969) is N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride?
The canonical SMILES for N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride is CN1CC(CN(C)S(=O)(=O)Cl)C1.
What is the InChIKey of N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride?
The InChIKey is HPFYWGAZUHRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O2S/c1-8-3-6(4-8)5-9(2)12(7,10)11/h6H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride?
N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride has a molecular weight of 212.70 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylazetidin-3-yl)methyl]sulfamoyl chloride is sourced from PubChem (CID 164656969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).