2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide

C9H16N2O2S2 — CID 62658925

IUPAC2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
SMILESCNCCNS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C9H16N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11-5-4-10-3/h6,10-11H,4-5H2,1-3H3
InChIKeyYUFKMUPQGOFGHQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.86
Rot. Bonds5

About 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide (PubChem CID 62658925) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
PubChem CID62658925
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
SMILESCNCCNS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C9H16N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11-5-4-10-3/h6,10-11H,4-5H2,1-3H3
InChIKeyYUFKMUPQGOFGHQ-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide (CID 62658925) is 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide is CNCCNS(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide?
The InChIKey is YUFKMUPQGOFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11-5-4-10-3/h6,10-11H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 62658925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).