N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide

C11H14N2O3S2 — CID 71981730

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC=CC2)s1
InChIInChI=1S/C11H14N2O3S2/c1-7-11(17-8(2)12-7)18(15,16)13-10(14)9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,13,14)
InChIKeyYCCBOVDLDKBMCQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.53
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71981730) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
PubChem CID71981730
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC=CC2)s1
InChIInChI=1S/C11H14N2O3S2/c1-7-11(17-8(2)12-7)18(15,16)13-10(14)9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,13,14)
InChIKeyYCCBOVDLDKBMCQ-UHFFFAOYSA-N
XLogP1.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide (CID 71981730) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide is Cc1nc(C)c(S(=O)(=O)NC(=O)C2CC=CC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is YCCBOVDLDKBMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-7-11(17-8(2)12-7)18(15,16)13-10(14)9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71981730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).