ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate

C11H24N2O4S — CID 63888007

IUPACethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H24N2O4S/c1-4-11(5-2,9-12)13-18(15,16)8-7-10(14)17-6-3/h13H,4-9,12H2,1-3H3
InChIKeyBGHFOWWWCRMVSJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.38
Rot. Bonds9

About ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate

ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate (PubChem CID 63888007) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
PubChem CID63888007
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C11H24N2O4S/c1-4-11(5-2,9-12)13-18(15,16)8-7-10(14)17-6-3/h13H,4-9,12H2,1-3H3
InChIKeyBGHFOWWWCRMVSJ-UHFFFAOYSA-N
XLogP0.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]propanoate
CID 115310691
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
ethyl 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]propanoate
CID 115310020
ethyl 3-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951320
ethyl 3-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]propanoate
CID 54951322
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate (CID 63888007) is ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NC(CC)(CC)CN.
What is the InChIKey of ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate?
The InChIKey is BGHFOWWWCRMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-11(5-2,9-12)13-18(15,16)8-7-10(14)17-6-3/h13H,4-9,12H2,1-3H3.
What are the key properties of ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate?
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate has a molecular weight of 280.39 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate is sourced from PubChem (CID 63888007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).