1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C15H26N2O5S — CID 146134409

IUPAC1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C15H26N2O5S/c1-2-11-23(21,22)16-12-5-9-17(10-6-12)13(18)15(14(19)20)7-3-4-8-15/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyAJBFFQCISNBMFC-UHFFFAOYSA-N
MW346.45 g/mol
LogP0.95
Rot. Bonds6

About 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 146134409) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID146134409
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C15H26N2O5S/c1-2-11-23(21,22)16-12-5-9-17(10-6-12)13(18)15(14(19)20)7-3-4-8-15/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyAJBFFQCISNBMFC-UHFFFAOYSA-N
XLogP0.95
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.95
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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Related Compounds

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CID 82758820
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CID 82763961
CID 82763961
CID 82765524
CID 82765524
CID 103343373
CID 103343373
CID 115433672
CID 115433672
CID 115435419
CID 115435419
CID 120252212
CID 120252212
CID 120393610
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CID 120393952
CID 120393952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 146134409) is 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is CCCS(=O)(=O)NC1CCN(C(=O)C2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is AJBFFQCISNBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-2-11-23(21,22)16-12-5-9-17(10-6-12)13(18)15(14(19)20)7-3-4-8-15/h12,16H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 346.45 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 146134409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).