1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid

C12H24N2O4S — CID 55028848

IUPAC1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CCN(C)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-10(2)7-9-13(3)19(17,18)14-8-5-4-6-11(14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyZAANNSJFDUOGIQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds6

About 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid

1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 55028848) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID55028848
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CCN(C)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-10(2)7-9-13(3)19(17,18)14-8-5-4-6-11(14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyZAANNSJFDUOGIQ-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60858619

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid (CID 55028848) is 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid is CC(C)CCN(C)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is ZAANNSJFDUOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)7-9-13(3)19(17,18)14-8-5-4-6-11(14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 55028848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).