3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide

C13H23NO2S2 — CID 66930256

IUPAC3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide
SMILESCCCCCc1sc(S(N)(=O)=O)c(C)c1CCC
InChIInChI=1S/C13H23NO2S2/c1-4-6-7-9-12-11(8-5-2)10(3)13(17-12)18(14,15)16/h4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBZNUUOUWWSYQCG-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.39
Rot. Bonds7

About 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide

3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide (PubChem CID 66930256) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide
PubChem CID66930256
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC Name3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide
SMILESCCCCCc1sc(S(N)(=O)=O)c(C)c1CCC
InChIInChI=1S/C13H23NO2S2/c1-4-6-7-9-12-11(8-5-2)10(3)13(17-12)18(14,15)16/h4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBZNUUOUWWSYQCG-UHFFFAOYSA-N
XLogP3.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide?
The IUPAC name of 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide (CID 66930256) is 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide.
What is the SMILES notation for 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide?
The canonical SMILES for 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide is CCCCCc1sc(S(N)(=O)=O)c(C)c1CCC.
What is the InChIKey of 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide?
The InChIKey is BZNUUOUWWSYQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-4-6-7-9-12-11(8-5-2)10(3)13(17-12)18(14,15)16/h4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide?
3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide has a molecular weight of 289.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide is sourced from PubChem (CID 66930256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).