2,3-dimethylbutan-2-yl N-sulfamoylcarbamate

C7H16N2O4S — CID 122596778

IUPAC2,3-dimethylbutan-2-yl N-sulfamoylcarbamate
SMILESCC(C)C(C)(C)OC(=O)NS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-5(2)7(3,4)13-6(10)9-14(8,11)12/h5H,1-4H3,(H,9,10)(H2,8,11,12)
InChIKeyYIRJOEMUSYDRTC-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.35
Rot. Bonds3

About 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate

2,3-dimethylbutan-2-yl N-sulfamoylcarbamate (PubChem CID 122596778) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl N-sulfamoylcarbamate
PubChem CID122596778
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2,3-dimethylbutan-2-yl N-sulfamoylcarbamate
SMILESCC(C)C(C)(C)OC(=O)NS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-5(2)7(3,4)13-6(10)9-14(8,11)12/h5H,1-4H3,(H,9,10)(H2,8,11,12)
InChIKeyYIRJOEMUSYDRTC-UHFFFAOYSA-N
XLogP0.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethylbutan-2-yl carbamate
CID 20975410
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
CID 86657941
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
4-(2,3-dimethylbutan-2-yloxy)-4-oxo-3-sulfobutanoic acid
CID 87611121
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
CID 89427724
methanesulfonic acid;2,3,4-trimethylpentan-3-amine
CID 173156179
2-(2,3-dimethylbutan-2-yloxysulfonyl)ethanesulfonic acid
CID 90415242
2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
CID 123149081

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate?
The IUPAC name of 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate (CID 122596778) is 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate?
The canonical SMILES for 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate is CC(C)C(C)(C)OC(=O)NS(N)(=O)=O.
What is the InChIKey of 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate?
The InChIKey is YIRJOEMUSYDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-5(2)7(3,4)13-6(10)9-14(8,11)12/h5H,1-4H3,(H,9,10)(H2,8,11,12).
What are the key properties of 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate?
2,3-dimethylbutan-2-yl N-sulfamoylcarbamate has a molecular weight of 224.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl N-sulfamoylcarbamate is sourced from PubChem (CID 122596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).