ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate

C10H20N2O6S — CID 10518038

IUPACethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
SMILESCCOC(=O)[C@H](C)OC(=O)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H20N2O6S/c1-5-17-9(13)8(4)18-10(14)12-19(15,16)11-6-7(2)3/h7-8,11H,5-6H2,1-4H3,(H,12,14)/t8-/m0/s1
InChIKeyGJKDFLAMKOAJTP-QMMMGPOBSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds7

About ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate

ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate (PubChem CID 10518038) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
PubChem CID10518038
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Nameethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
SMILESCCOC(=O)[C@H](C)OC(=O)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H20N2O6S/c1-5-17-9(13)8(4)18-10(14)12-19(15,16)11-6-7(2)3/h7-8,11H,5-6H2,1-4H3,(H,12,14)/t8-/m0/s1
InChIKeyGJKDFLAMKOAJTP-QMMMGPOBSA-N
XLogP0.15
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-2-(benzylsulfamoylcarbamoyloxy)propanoate
CID 10758791
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate?
The IUPAC name of ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate (CID 10518038) is ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate is CCOC(=O)[C@H](C)OC(=O)NS(=O)(=O)NCC(C)C.
What is the InChIKey of ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate?
The InChIKey is GJKDFLAMKOAJTP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-5-17-9(13)8(4)18-10(14)12-19(15,16)11-6-7(2)3/h7-8,11H,5-6H2,1-4H3,(H,12,14)/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate?
ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate has a molecular weight of 296.35 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate is sourced from PubChem (CID 10518038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).