ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate

C9H20N2O5S — CID 106184660

IUPACethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C9H20N2O5S/c1-6-16-7(12)10-17(14,15)11-8(2,3)9(4,5)13/h11,13H,6H2,1-5H3,(H,10,12)
InChIKeyAFRWHGLHXKKMMU-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.12
Rot. Bonds5

About ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate

ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate (PubChem CID 106184660) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
PubChem CID106184660
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Nameethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C9H20N2O5S/c1-6-16-7(12)10-17(14,15)11-8(2,3)9(4,5)13/h11,13H,6H2,1-5H3,(H,10,12)
InChIKeyAFRWHGLHXKKMMU-UHFFFAOYSA-N
XLogP0.12
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(propylsulfamoyl)carbamate
CID 114463072
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CID 114464062
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
CID 106144041
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
CID 105060300
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
CID 114464308
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate (CID 106184660) is ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate?
The InChIKey is AFRWHGLHXKKMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-6-16-7(12)10-17(14,15)11-8(2,3)9(4,5)13/h11,13H,6H2,1-5H3,(H,10,12).
What are the key properties of ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate?
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate has a molecular weight of 268.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106184660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).