ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate

C11H16N2O5S — CID 107863586

IUPACethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-10(8-14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCIUCXFAUXCEUEZ-JTQLQIEISA-N
MW288.33 g/mol
LogP0.30
Rot. Bonds6

About ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate

ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate (PubChem CID 107863586) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
PubChem CID107863586
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Nameethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-10(8-14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCIUCXFAUXCEUEZ-JTQLQIEISA-N
XLogP0.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
CID 114465514
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-(phenacylsulfamoyl)carbamate
CID 114463715
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate (CID 107863586) is ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
The InChIKey is CIUCXFAUXCEUEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-10(8-14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate?
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate has a molecular weight of 288.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate is sourced from PubChem (CID 107863586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).