ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate

C11H22N2O4S — CID 60731767

IUPACethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-17-11(14)10-5-7-13(8-6-10)18(15,16)12-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyPIBQVFAQSGOSII-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.50
Rot. Bonds5

About ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate

ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate (PubChem CID 60731767) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
PubChem CID60731767
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-17-11(14)10-5-7-13(8-6-10)18(15,16)12-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyPIBQVFAQSGOSII-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
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-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate (CID 60731767) is ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NC(C)C)CC1.
What is the InChIKey of ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is PIBQVFAQSGOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-17-11(14)10-5-7-13(8-6-10)18(15,16)12-9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 60731767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).