(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid

C10H18N2O6S — CID 104929168

IUPAC(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12-5-3-4-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyMXBKNBUIAWAIBH-QMMMGPOBSA-N
MW294.33 g/mol
LogP0.16
Rot. Bonds4

About (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid

(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 104929168) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID104929168
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12-5-3-4-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyMXBKNBUIAWAIBH-QMMMGPOBSA-N
XLogP0.16
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
propan-2-yl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464671
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-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120444
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid (CID 104929168) is (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid is CC(C)OC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is MXBKNBUIAWAIBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12-5-3-4-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid?
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104929168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).