1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid

C10H20N2O6S2 — CID 79849932

IUPAC1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H20N2O6S2/c1-11(7-8-19(2,15)16)20(17,18)12-6-4-3-5-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyKTYBXGVQIHPGSZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP-0.85
Rot. Bonds6

About 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid

1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 79849932) has the molecular formula C10H20N2O6S2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID79849932
Molecular FormulaC10H20N2O6S2
Molecular Weight328.41 g/mol
Exact Mass328.08
IUPAC Name1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H20N2O6S2/c1-11(7-8-19(2,15)16)20(17,18)12-6-4-3-5-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyKTYBXGVQIHPGSZ-UHFFFAOYSA-N
XLogP-0.85
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid (CID 79849932) is 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid is CN(CCS(C)(=O)=O)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is KTYBXGVQIHPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S2/c1-11(7-8-19(2,15)16)20(17,18)12-6-4-3-5-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of -0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79849932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).