2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C13H22N2O3S — CID 42949878

IUPAC2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-13(16)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,14,16)
InChIKeyQTWZGDVVHUPOFN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.88
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 42949878) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID42949878
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-13(16)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,14,16)
InChIKeyQTWZGDVVHUPOFN-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42949879
N-cyclopentyl-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38027250
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclohex-3-enecarboxamide
CID 71796763
N-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 72011449
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
(1S)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559185
(1R)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559186
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 2974807
2-cyclopent-2-en-1-yl-N-[3-[methyl(methylsulfonyl)amino]propyl]acetamide
CID 45884763
2-cyclopent-2-en-1-yl-N-{2-[(dimethylamino)sulfonyl]ethyl}acetamide
CID 56749205
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 758007
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 7319795

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 42949878) is 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)CC2C=CCC2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is QTWZGDVVHUPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19(17,18)15-8-6-12(7-9-15)14-13(16)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,14,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 42949878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).