methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate

C6H13ClN2O4S — CID 114466253

IUPACmethyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)CC(C)Cl
InChIInChI=1S/C6H13ClN2O4S/c1-5(7)4-9(2)14(11,12)8-6(10)13-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyAFYMCNCUELCNPQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP0.15
Rot. Bonds4

About methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate

methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate (PubChem CID 114466253) has the molecular formula C6H13ClN2O4S and a molecular weight of 244.70 g/mol. Its IUPAC name is methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
PubChem CID114466253
Molecular FormulaC6H13ClN2O4S
Molecular Weight244.70 g/mol
Exact Mass244.03
IUPAC Namemethyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)CC(C)Cl
InChIInChI=1S/C6H13ClN2O4S/c1-5(7)4-9(2)14(11,12)8-6(10)13-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyAFYMCNCUELCNPQ-UHFFFAOYSA-N
XLogP0.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
methyl N-[methoxy(methyl)sulfamoyl]carbamate
CID 114463076
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl N-[(2-amino-2-sulfanylideneethyl)-propan-2-ylsulfamoyl]carbamate
CID 114463668
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
CID 15473616
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
CID 114464308
methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
CID 113065507
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate (CID 114466253) is methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)N(C)CC(C)Cl.
What is the InChIKey of methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate?
The InChIKey is AFYMCNCUELCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O4S/c1-5(7)4-9(2)14(11,12)8-6(10)13-3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate?
methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate has a molecular weight of 244.70 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).