5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide

C13H18N2O2S2 — CID 71792610

IUPAC5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC#CCN2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c1-12-6-7-13(18-12)19(16,17)14-8-2-3-9-15-10-4-5-11-15/h6-7,14H,4-5,8-11H2,1H3
InChIKeyRMIIFZSCOIABPK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.43
Rot. Bonds4

About 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide

5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide (PubChem CID 71792610) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide
PubChem CID71792610
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC#CCN2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c1-12-6-7-13(18-12)19(16,17)14-8-2-3-9-15-10-4-5-11-15/h6-7,14H,4-5,8-11H2,1H3
InChIKeyRMIIFZSCOIABPK-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide (CID 71792610) is 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC#CCN2CCCC2)s1.
What is the InChIKey of 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide?
The InChIKey is RMIIFZSCOIABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-12-6-7-13(18-12)19(16,17)14-8-2-3-9-15-10-4-5-11-15/h6-7,14H,4-5,8-11H2,1H3.
What are the key properties of 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide?
5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71792610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).