4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide

C14H25N3O3S — CID 79209151

IUPAC4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H25N3O3S/c1-2-9-21(19,20)17-7-5-13(6-8-17)16-14(18)11-3-4-12(15)10-11/h3-4,11-13H,2,5-10,15H2,1H3,(H,16,18)
InChIKeyZGQXBFCTZKHCBP-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.21
Rot. Bonds5

About 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79209151) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79209151
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H25N3O3S/c1-2-9-21(19,20)17-7-5-13(6-8-17)16-14(18)11-3-4-12(15)10-11/h3-4,11-13H,2,5-10,15H2,1H3,(H,16,18)
InChIKeyZGQXBFCTZKHCBP-UHFFFAOYSA-N
XLogP0.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79211011
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide (CID 79209151) is 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ZGQXBFCTZKHCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-2-9-21(19,20)17-7-5-13(6-8-17)16-14(18)11-3-4-12(15)10-11/h3-4,11-13H,2,5-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).