tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen

C8H22N2O4S — CID 176960460

IUPACtert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
SMILESCC(C)NS(=O)(=O)NC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C8H18N2O4S.2H2/c1-6(2)9-15(12,13)10-7(11)14-8(3,4)5;;/h6,9H,1-5H3,(H,10,11);2*1H
InChIKeyCPQJXEUMFLPGQB-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.25
Rot. Bonds3

About tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen

tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen (PubChem CID 176960460) has the molecular formula C8H22N2O4S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
PubChem CID176960460
Molecular FormulaC8H22N2O4S
Molecular Weight242.34 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
SMILESCC(C)NS(=O)(=O)NC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C8H18N2O4S.2H2/c1-6(2)9-15(12,13)10-7(11)14-8(3,4)5;;/h6,9H,1-5H3,(H,10,11);2*1H
InChIKeyCPQJXEUMFLPGQB-UHFFFAOYSA-N
XLogP1.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
ditert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanedioate
CID 155093571
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate
CID 10661334
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
CID 110613438
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
CID 15473616
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen (CID 176960460) is tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen is CC(C)NS(=O)(=O)NC(=O)OC(C)(C)C.[H][H].[H][H].
What is the InChIKey of tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen?
The InChIKey is CPQJXEUMFLPGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S.2H2/c1-6(2)9-15(12,13)10-7(11)14-8(3,4)5;;/h6,9H,1-5H3,(H,10,11);2*1H.
What are the key properties of tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen?
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen has a molecular weight of 242.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen is sourced from PubChem (CID 176960460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).