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

C12H24N2O6S — CID 103887524

IUPACmethyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOCC(CCO)NS(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H24N2O6S/c1-19-9-11(5-8-15)13-21(17,18)14-6-3-10(4-7-14)12(16)20-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBRRZJMCTLOLUKC-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.90
Rot. Bonds8

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

methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 103887524) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
PubChem CID103887524
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Namemethyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOCC(CCO)NS(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H24N2O6S/c1-19-9-11(5-8-15)13-21(17,18)14-6-3-10(4-7-14)12(16)20-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyBRRZJMCTLOLUKC-UHFFFAOYSA-N
XLogP-0.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate with MolForge

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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
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate (CID 103887524) is methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate is COCC(CCO)NS(=O)(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is BRRZJMCTLOLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-19-9-11(5-8-15)13-21(17,18)14-6-3-10(4-7-14)12(16)20-2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 324.40 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 103887524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).