1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid

C14H28N2O4S — CID 60950199

IUPAC1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(C(C)CC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-6-9-16(12(3)5-2)21(19,20)15-10-7-13(8-11-15)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyKHGLWXQVFOYVES-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.93
Rot. Bonds8

About 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid

1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60950199) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60950199
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(C(C)CC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-6-9-16(12(3)5-2)21(19,20)15-10-7-13(8-11-15)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyKHGLWXQVFOYVES-UHFFFAOYSA-N
XLogP1.93
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-(Pentan-3-YL)piperidine-4-carboxylic acid
CID 65056092
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60891179
1-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60952455

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60950199) is 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid is CCCCN(C(C)CC)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is KHGLWXQVFOYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-6-9-16(12(3)5-2)21(19,20)15-10-7-13(8-11-15)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60950199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).