ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate

C11H23N3O4S — CID 63731077

IUPACethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCC(C)N)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-11(15)10-4-6-14(7-5-10)19(16,17)13-8-9(2)12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyQFOBYZFZQZZHDF-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.56
Rot. Bonds6

About ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate

ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate (PubChem CID 63731077) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
PubChem CID63731077
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCC(C)N)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-11(15)10-4-6-14(7-5-10)19(16,17)13-8-9(2)12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyQFOBYZFZQZZHDF-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

(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352876
ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
CID 62498446
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate (CID 63731077) is ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NCC(C)N)CC1.
What is the InChIKey of ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is QFOBYZFZQZZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-18-11(15)10-4-6-14(7-5-10)19(16,17)13-8-9(2)12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-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-(2-aminopropylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 63731077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).