ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate

C13H26N2O5S — CID 65112821

IUPACethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCC(C)(O)CC)C1
InChIInChI=1S/C13H26N2O5S/c1-4-13(3,17)10-14-21(18,19)15-8-6-7-11(9-15)12(16)20-5-2/h11,14,17H,4-10H2,1-3H3
InChIKeyVQTIRTXEAGXEGZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.26
Rot. Bonds7

About ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate

ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate (PubChem CID 65112821) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
PubChem CID65112821
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Nameethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCC(C)(O)CC)C1
InChIInChI=1S/C13H26N2O5S/c1-4-13(3,17)10-14-21(18,19)15-8-6-7-11(9-15)12(16)20-5-2/h11,14,17H,4-10H2,1-3H3
InChIKeyVQTIRTXEAGXEGZ-UHFFFAOYSA-N
XLogP0.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 66171400
ethyl (3S)-1-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]piperidine-3-carboxylate
CID 100900733
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate (CID 65112821) is ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NCC(C)(O)CC)C1.
What is the InChIKey of ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate?
The InChIKey is VQTIRTXEAGXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-4-13(3,17)10-14-21(18,19)15-8-6-7-11(9-15)12(16)20-5-2/h11,14,17H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate?
ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 65112821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).