ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate

C13H25N3O4S — CID 103352876

IUPACethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-2-20-12(17)11-4-8-16(9-5-11)21(18,19)15-10-13(14)6-3-7-13/h11,15H,2-10,14H2,1H3
InChIKeyFYXQXNPUBSSFDO-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.02
Rot. Bonds6

About ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate

ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate (PubChem CID 103352876) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
PubChem CID103352876
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Nameethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-2-20-12(17)11-4-8-16(9-5-11)21(18,19)15-10-13(14)6-3-7-13/h11,15H,2-10,14H2,1H3
InChIKeyFYXQXNPUBSSFDO-UHFFFAOYSA-N
XLogP-0.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
CID 62498446
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate
CID 154764571
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate (CID 103352876) is ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1.
What is the InChIKey of ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is FYXQXNPUBSSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-2-20-12(17)11-4-8-16(9-5-11)21(18,19)15-10-13(14)6-3-7-13/h11,15H,2-10,14H2,1H3.
What are the key properties of ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 319.43 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 103352876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).