N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide

C9H15NO2S — CID 125476582

IUPACN-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N=C1C=CCC1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6H,5,7H2,1-3H3
InChIKeyFCABGFZWUREOHI-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.91
Rot. Bonds1

About N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide

N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide (PubChem CID 125476582) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide
PubChem CID125476582
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N=C1C=CCC1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6H,5,7H2,1-3H3
InChIKeyFCABGFZWUREOHI-UHFFFAOYSA-N
XLogP1.91
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide?
The IUPAC name of N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide (CID 125476582) is N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N=C1C=CCC1.
What is the InChIKey of N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide?
The InChIKey is FCABGFZWUREOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,3)13(11,12)10-8-6-4-5-7-8/h4,6H,5,7H2,1-3H3.
What are the key properties of N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide?
N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 125476582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).