N,N-diethyl-3-methoxythiophene-2-sulfonamide

C9H15NO3S2 — CID 59654523

IUPACN,N-diethyl-3-methoxythiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H15NO3S2/c1-4-10(5-2)15(11,12)9-8(13-3)6-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyOPAOYXMDVYBWFL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.79
Rot. Bonds5

About N,N-diethyl-3-methoxythiophene-2-sulfonamide

N,N-diethyl-3-methoxythiophene-2-sulfonamide (PubChem CID 59654523) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-diethyl-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-methoxythiophene-2-sulfonamide
PubChem CID59654523
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC NameN,N-diethyl-3-methoxythiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H15NO3S2/c1-4-10(5-2)15(11,12)9-8(13-3)6-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyOPAOYXMDVYBWFL-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-3-methoxythiophene-2-sulfonamide (CID 59654523) is N,N-diethyl-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-3-methoxythiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1sccc1OC.
What is the InChIKey of N,N-diethyl-3-methoxythiophene-2-sulfonamide?
The InChIKey is OPAOYXMDVYBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-4-10(5-2)15(11,12)9-8(13-3)6-7-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methoxythiophene-2-sulfonamide?
N,N-diethyl-3-methoxythiophene-2-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 59654523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).