methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate

C12H22N2O5S — CID 47362555

IUPACmethyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)CC(C)C)CC1
InChIInChI=1S/C12H22N2O5S/c1-9(2)8-11(15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyXUDLLWLBGQTNCZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.28
Rot. Bonds5

About methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate

methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate (PubChem CID 47362555) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
PubChem CID47362555
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Namemethyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)CC(C)C)CC1
InChIInChI=1S/C12H22N2O5S/c1-9(2)8-11(15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyXUDLLWLBGQTNCZ-UHFFFAOYSA-N
XLogP0.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 79255503
methyl 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-4-carboxylate
CID 79255174
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
CID 94201534
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 103887524
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505
methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate
CID 51091345
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate (CID 47362555) is methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NC(=O)CC(C)C)CC1.
What is the InChIKey of methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is XUDLLWLBGQTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-9(2)8-11(15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 306.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 47362555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).