(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid

C8H16N2O4S — CID 42257597

IUPAC(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-9(2)15(13,14)10-5-3-4-7(6-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZVVDFRDSNBLLIF-ZETCQYMHSA-N
MW236.29 g/mol
LogP-0.41
Rot. Bonds3

About (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid

(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 42257597) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID42257597
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-9(2)15(13,14)10-5-3-4-7(6-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZVVDFRDSNBLLIF-ZETCQYMHSA-N
XLogP-0.41
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid (CID 42257597) is (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZVVDFRDSNBLLIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-9(2)15(13,14)10-5-3-4-7(6-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid?
(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42257597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).