ethyl 3-(butan-2-ylsulfamoyl)propanoate

C9H19NO4S — CID 63900304

IUPACethyl 3-(butan-2-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)CC
InChIInChI=1S/C9H19NO4S/c1-4-8(3)10-15(12,13)7-6-9(11)14-5-2/h8,10H,4-7H2,1-3H3
InChIKeyOXCWSMNIOCQGOG-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.66
Rot. Bonds7

About ethyl 3-(butan-2-ylsulfamoyl)propanoate

ethyl 3-(butan-2-ylsulfamoyl)propanoate (PubChem CID 63900304) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 3-(butan-2-ylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(butan-2-ylsulfamoyl)propanoate
PubChem CID63900304
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nameethyl 3-(butan-2-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)CC
InChIInChI=1S/C9H19NO4S/c1-4-8(3)10-15(12,13)7-6-9(11)14-5-2/h8,10H,4-7H2,1-3H3
InChIKeyOXCWSMNIOCQGOG-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
ethyl 3-(2-methylbutylsulfonyl)propanoate
CID 107746710
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
ethyl 3-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]propanoate
CID 115310691
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
ethyl 3-methylsulfonylpropanoate
CID 58565961

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(butan-2-ylsulfamoyl)propanoate?
The IUPAC name of ethyl 3-(butan-2-ylsulfamoyl)propanoate (CID 63900304) is ethyl 3-(butan-2-ylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 3-(butan-2-ylsulfamoyl)propanoate?
The canonical SMILES for ethyl 3-(butan-2-ylsulfamoyl)propanoate is CCOC(=O)CCS(=O)(=O)NC(C)CC.
What is the InChIKey of ethyl 3-(butan-2-ylsulfamoyl)propanoate?
The InChIKey is OXCWSMNIOCQGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-8(3)10-15(12,13)7-6-9(11)14-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(butan-2-ylsulfamoyl)propanoate?
ethyl 3-(butan-2-ylsulfamoyl)propanoate has a molecular weight of 237.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(butan-2-ylsulfamoyl)propanoate is sourced from PubChem (CID 63900304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).