1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid

C11H22N2O5S — CID 79254422

IUPAC1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(C)[C@@H](CO)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-8(2)10(7-14)12-19(17,18)13-5-3-4-9(6-13)11(15)16/h8-10,12,14H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeySBLYEALVCSIZIE-QVDQXJPCSA-N
MW294.37 g/mol
LogP-0.37
Rot. Bonds6

About 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid

1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 79254422) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
PubChem CID79254422
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(C)[C@@H](CO)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-8(2)10(7-14)12-19(17,18)13-5-3-4-9(6-13)11(15)16/h8-10,12,14H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeySBLYEALVCSIZIE-QVDQXJPCSA-N
XLogP-0.37
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 107848198
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
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid (CID 79254422) is 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid is CC(C)[C@@H](CO)NS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is SBLYEALVCSIZIE-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-8(2)10(7-14)12-19(17,18)13-5-3-4-9(6-13)11(15)16/h8-10,12,14H,3-7H2,1-2H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 79254422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).