3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide

C7H13N3O2S2 — CID 71031201

IUPAC3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1scc(N)c1N
InChIInChI=1S/C7H13N3O2S2/c1-3-10(2)14(11,12)7-6(9)5(8)4-13-7/h4H,3,8-9H2,1-2H3
InChIKeyZFXSELWKWJDNIJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.55
Rot. Bonds3

About 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide

3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide (PubChem CID 71031201) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide
PubChem CID71031201
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1scc(N)c1N
InChIInChI=1S/C7H13N3O2S2/c1-3-10(2)14(11,12)7-6(9)5(8)4-13-7/h4H,3,8-9H2,1-2H3
InChIKeyZFXSELWKWJDNIJ-UHFFFAOYSA-N
XLogP0.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide?
The IUPAC name of 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide (CID 71031201) is 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide is CCN(C)S(=O)(=O)c1scc(N)c1N.
What is the InChIKey of 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide?
The InChIKey is ZFXSELWKWJDNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-3-10(2)14(11,12)7-6(9)5(8)4-13-7/h4H,3,8-9H2,1-2H3.
What are the key properties of 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide?
3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 71031201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).