methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate

C5H11ClN2O4S — CID 114466356

IUPACmethyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NC(C)CCl
InChIInChI=1S/C5H11ClN2O4S/c1-4(3-6)7-13(10,11)8-5(9)12-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyMKZGWRXFOHIJRF-UHFFFAOYSA-N
MW230.67 g/mol
LogP-0.20
Rot. Bonds4

About methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate

methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate (PubChem CID 114466356) has the molecular formula C5H11ClN2O4S and a molecular weight of 230.67 g/mol. Its IUPAC name is methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
PubChem CID114466356
Molecular FormulaC5H11ClN2O4S
Molecular Weight230.67 g/mol
Exact Mass230.01
IUPAC Namemethyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NC(C)CCl
InChIInChI=1S/C5H11ClN2O4S/c1-4(3-6)7-13(10,11)8-5(9)12-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyMKZGWRXFOHIJRF-UHFFFAOYSA-N
XLogP-0.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The IUPAC name of methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate (CID 114466356) is methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NC(C)CCl.
What is the InChIKey of methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The InChIKey is MKZGWRXFOHIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O4S/c1-4(3-6)7-13(10,11)8-5(9)12-2/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate has a molecular weight of 230.67 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114466356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).