ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate

C11H23N3O4S — CID 63730934

IUPACethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC(C)CN)C1
InChIInChI=1S/C11H23N3O4S/c1-3-18-11(15)10-5-4-6-14(8-10)19(16,17)13-9(2)7-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIXPFNGGKGNUWCH-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.56
Rot. Bonds6

About ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate

ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate (PubChem CID 63730934) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
PubChem CID63730934
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC(C)CN)C1
InChIInChI=1S/C11H23N3O4S/c1-3-18-11(15)10-5-4-6-14(8-10)19(16,17)13-9(2)7-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIXPFNGGKGNUWCH-UHFFFAOYSA-N
XLogP-0.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
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CID 81318780
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
CID 65112821
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate (CID 63730934) is ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NC(C)CN)C1.
What is the InChIKey of ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is IXPFNGGKGNUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-18-11(15)10-5-4-6-14(8-10)19(16,17)13-9(2)7-12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate?
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 293.39 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 63730934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).