ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate

C8H18N2O5S — CID 114464365

IUPACethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)CCCO
InChIInChI=1S/C8H18N2O5S/c1-3-10(6-5-7-11)16(13,14)9-8(12)15-4-2/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeySKTUATVXPWILPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.32
Rot. Bonds7

About ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate

ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate (PubChem CID 114464365) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
PubChem CID114464365
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Nameethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)CCCO
InChIInChI=1S/C8H18N2O5S/c1-3-10(6-5-7-11)16(13,14)9-8(12)15-4-2/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeySKTUATVXPWILPJ-UHFFFAOYSA-N
XLogP-0.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
CID 114466236
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
CID 114466563
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
CID 104929326
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466863
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
ethyl N-[ethyl(piperidin-2-ylmethyl)sulfamoyl]carbamate
CID 106630320
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146

Frequently Asked Questions

What is the IUPAC name of ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate (CID 114464365) is ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CC)CCCO.
What is the InChIKey of ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate?
The InChIKey is SKTUATVXPWILPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-3-10(6-5-7-11)16(13,14)9-8(12)15-4-2/h11H,3-7H2,1-2H3,(H,9,12).
What are the key properties of ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate?
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).