ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate

C8H18N2O5S — CID 114464308

IUPACethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H18N2O5S/c1-5-15-7(11)9-16(13,14)10(4)6-8(2,3)12/h12H,5-6H2,1-4H3,(H,9,11)
InChIKeyBEXZZRMKUATKSF-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.32
Rot. Bonds5

About ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate

ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate (PubChem CID 114464308) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
PubChem CID114464308
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Nameethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H18N2O5S/c1-5-15-7(11)9-16(13,14)10(4)6-8(2,3)12/h12H,5-6H2,1-4H3,(H,9,11)
InChIKeyBEXZZRMKUATKSF-UHFFFAOYSA-N
XLogP-0.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
ethyl N-[(1-amino-2-methylpropan-2-yl)-methylsulfamoyl]carbamate
CID 114461340
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
CID 102635643
ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
CID 114461365
ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
CID 114466236
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735
ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate
CID 114463701
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
CID 15473616

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate (CID 114464308) is ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate?
The InChIKey is BEXZZRMKUATKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-5-15-7(11)9-16(13,14)10(4)6-8(2,3)12/h12H,5-6H2,1-4H3,(H,9,11).
What are the key properties of ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate?
ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate is sourced from PubChem (CID 114464308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).