1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C15H24N2O5S — CID 120551605

IUPAC1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCCC(S(=O)(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C15H24N2O5S/c18-13(15(7-8-15)14(19)20)17-9-3-6-12(10-17)23(21,22)16-11-4-1-2-5-11/h11-12,16H,1-10H2,(H,19,20)
InChIKeyAAJNUAVSSNDOGG-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.70
Rot. Bonds5

About 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 120551605) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID120551605
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCCC(S(=O)(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C15H24N2O5S/c18-13(15(7-8-15)14(19)20)17-9-3-6-12(10-17)23(21,22)16-11-4-1-2-5-11/h11-12,16H,1-10H2,(H,19,20)
InChIKeyAAJNUAVSSNDOGG-UHFFFAOYSA-N
XLogP0.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 120551605) is 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCCC(S(=O)(=O)NC3CCCC3)C2)CC1.
What is the InChIKey of 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is AAJNUAVSSNDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c18-13(15(7-8-15)14(19)20)17-9-3-6-12(10-17)23(21,22)16-11-4-1-2-5-11/h11-12,16H,1-10H2,(H,19,20).
What are the key properties of 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 344.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120551605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).