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

C12H21N3O3S — CID 79211011

IUPAC4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H21N3O3S/c1-19(17,18)15-6-4-11(5-7-15)14-12(16)9-2-3-10(13)8-9/h2-3,9-11H,4-8,13H2,1H3,(H,14,16)
InChIKeyJVKQTSXUHJFEPE-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.57
Rot. Bonds3

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

4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211011) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79211011
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H21N3O3S/c1-19(17,18)15-6-4-11(5-7-15)14-12(16)9-2-3-10(13)8-9/h2-3,9-11H,4-8,13H2,1H3,(H,14,16)
InChIKeyJVKQTSXUHJFEPE-UHFFFAOYSA-N
XLogP-0.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.57
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-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79209151
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 79210721
4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79210608
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide (CID 79211011) is 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide is CS(=O)(=O)N1CCC(NC(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is JVKQTSXUHJFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-19(17,18)15-6-4-11(5-7-15)14-12(16)9-2-3-10(13)8-9/h2-3,9-11H,4-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 287.38 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).