propan-2-yl N-(butan-2-ylsulfamoyl)carbamate

C8H18N2O4S — CID 114463084

IUPACpropan-2-yl N-(butan-2-ylsulfamoyl)carbamate
SMILESCCC(C)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-7(4)9-15(12,13)10-8(11)14-6(2)3/h6-7,9H,5H2,1-4H3,(H,10,11)
InChIKeyYSCDLWCAOFQHBD-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.75
Rot. Bonds5

About propan-2-yl N-(butan-2-ylsulfamoyl)carbamate

propan-2-yl N-(butan-2-ylsulfamoyl)carbamate (PubChem CID 114463084) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is propan-2-yl N-(butan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(butan-2-ylsulfamoyl)carbamate
PubChem CID114463084
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namepropan-2-yl N-(butan-2-ylsulfamoyl)carbamate
SMILESCCC(C)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-7(4)9-15(12,13)10-8(11)14-6(2)3/h6-7,9H,5H2,1-4H3,(H,10,11)
InChIKeyYSCDLWCAOFQHBD-UHFFFAOYSA-N
XLogP0.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
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
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(butan-2-ylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(butan-2-ylsulfamoyl)carbamate (CID 114463084) is propan-2-yl N-(butan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(butan-2-ylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(butan-2-ylsulfamoyl)carbamate is CCC(C)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(butan-2-ylsulfamoyl)carbamate?
The InChIKey is YSCDLWCAOFQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5-7(4)9-15(12,13)10-8(11)14-6(2)3/h6-7,9H,5H2,1-4H3,(H,10,11).
What are the key properties of propan-2-yl N-(butan-2-ylsulfamoyl)carbamate?
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate has a molecular weight of 238.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(butan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114463084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).