methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate

C12H24N2O5S — CID 79255503

IUPACmethyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(CO)C(C)C)CC1
InChIInChI=1S/C12H24N2O5S/c1-9(2)11(8-15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyGFNCHGTVZJLNNV-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.28
Rot. Bonds6

About methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate

methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 79255503) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate
PubChem CID79255503
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Namemethyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(CO)C(C)C)CC1
InChIInChI=1S/C12H24N2O5S/c1-9(2)11(8-15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyGFNCHGTVZJLNNV-UHFFFAOYSA-N
XLogP-0.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-4-carboxylate
CID 79255174
1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 103887524
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate (CID 79255503) is methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NC(CO)C(C)C)CC1.
What is the InChIKey of methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is GFNCHGTVZJLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-9(2)11(8-15)13-20(17,18)14-6-4-10(5-7-14)12(16)19-3/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 308.40 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 79255503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).