(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid

C10H20N2O4S — CID 104977959

IUPAC(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)11-17(15,16)12-7-5-4-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyWPBSYPCDUZOICB-QMMMGPOBSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds3

About (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid

(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 104977959) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID104977959
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)11-17(15,16)12-7-5-4-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyWPBSYPCDUZOICB-QMMMGPOBSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859421
1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107864789
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
1-(cyanosulfamoyl)piperidine-2-carboxylic acid
CID 79194973
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
1-(morpholin-4-ylsulfamoyl)piperidine-2-carboxylic acid
CID 83005622
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
CID 107151259
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid (CID 104977959) is (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid is CC(C)(C)NS(=O)(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is WPBSYPCDUZOICB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)11-17(15,16)12-7-5-4-6-8(12)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid?
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104977959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).