ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate

C12H24N2O4S — CID 62047075

IUPACethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C12H24N2O4S/c1-3-18-12(15)6-8-19(16,17)14-10(2)11-5-4-7-13-9-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyKJWWGDGCDXVXSS-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.25
Rot. Bonds7

About ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate

ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate (PubChem CID 62047075) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate
PubChem CID62047075
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C12H24N2O4S/c1-3-18-12(15)6-8-19(16,17)14-10(2)11-5-4-7-13-9-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyKJWWGDGCDXVXSS-UHFFFAOYSA-N
XLogP0.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
CID 43523463
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
CID 119970304
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
2-(1-piperidin-3-ylethylsulfamoyl)propanoic acid
CID 62047248
methyl 2,5-dimethyl-4-(1-piperidin-3-ylethylsulfamoyl)furan-3-carboxylate
CID 120874790
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
1-(oxan-2-yl)-N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119970218
methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate?
The IUPAC name of ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate (CID 62047075) is ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate?
The canonical SMILES for ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate is CCOC(=O)CCS(=O)(=O)NC(C)C1CCCNC1.
What is the InChIKey of ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate?
The InChIKey is KJWWGDGCDXVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-18-12(15)6-8-19(16,17)14-10(2)11-5-4-7-13-9-11/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate?
ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate has a molecular weight of 292.40 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate is sourced from PubChem (CID 62047075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).