1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid

C12H24N2O4S — CID 54914300

IUPAC1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)5-3-7-13-19(17,18)14-8-4-6-11(9-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyCRUCGGOJIMKBGQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds7

About 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid

1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 54914300) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID54914300
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)5-3-7-13-19(17,18)14-8-4-6-11(9-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyCRUCGGOJIMKBGQ-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid (CID 54914300) is 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid is CC(C)CCCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is CRUCGGOJIMKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)5-3-7-13-19(17,18)14-8-4-6-11(9-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid?
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 54914300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).