4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide

C9H16N2O2S2 — CID 61299968

IUPAC4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S2/c1-4-11(7(2)3)15(12,13)9-5-8(10)6-14-9/h5-7H,4,10H2,1-3H3
InChIKeySPVJZKIILQGSOV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide

4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 61299968) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID61299968
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S2/c1-4-11(7(2)3)15(12,13)9-5-8(10)6-14-9/h5-7H,4,10H2,1-3H3
InChIKeySPVJZKIILQGSOV-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide (CID 61299968) is 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide is CCN(C(C)C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is SPVJZKIILQGSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-4-11(7(2)3)15(12,13)9-5-8(10)6-14-9/h5-7H,4,10H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide?
4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 61299968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).