propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate

C6H13ClN2O6S2 — CID 114467593

IUPACpropan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClN2O6S2/c1-5(2)15-6(10)9-17(13,14)8-3-4-16(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyXGGWQIQFDROQDI-UHFFFAOYSA-N
MW308.77 g/mol
LogP-0.48
Rot. Bonds6

About propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate

propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate (PubChem CID 114467593) has the molecular formula C6H13ClN2O6S2 and a molecular weight of 308.77 g/mol. Its IUPAC name is propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
PubChem CID114467593
Molecular FormulaC6H13ClN2O6S2
Molecular Weight308.77 g/mol
Exact Mass307.99
IUPAC Namepropan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClN2O6S2/c1-5(2)15-6(10)9-17(13,14)8-3-4-16(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyXGGWQIQFDROQDI-UHFFFAOYSA-N
XLogP-0.48
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
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propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831
propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
CID 104929393
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate (CID 114467593) is propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate is CC(C)OC(=O)NS(=O)(=O)NCCS(=O)(=O)Cl.
What is the InChIKey of propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate?
The InChIKey is XGGWQIQFDROQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O6S2/c1-5(2)15-6(10)9-17(13,14)8-3-4-16(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate?
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate has a molecular weight of 308.77 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate is sourced from PubChem (CID 114467593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).