propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate

C8H17ClN2O4S — CID 114466308

IUPACpropan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
SMILESCCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H17ClN2O4S/c1-4-7(5-9)10-16(13,14)11-8(12)15-6(2)3/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyMZMNLYPIKZCLLF-UHFFFAOYSA-N
MW272.75 g/mol
LogP0.97
Rot. Bonds6

About propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate

propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate (PubChem CID 114466308) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
PubChem CID114466308
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Namepropan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
SMILESCCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H17ClN2O4S/c1-4-7(5-9)10-16(13,14)11-8(12)15-6(2)3/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyMZMNLYPIKZCLLF-UHFFFAOYSA-N
XLogP0.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185569
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
CID 106157379
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate (CID 114466308) is propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate is CCC(CCl)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate?
The InChIKey is MZMNLYPIKZCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O4S/c1-4-7(5-9)10-16(13,14)11-8(12)15-6(2)3/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate?
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate has a molecular weight of 272.75 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114466308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).