4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide

C9H16N2O3S2 — CID 61300337

IUPAC4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O3S2/c1-2-14-5-3-4-11-16(12,13)9-6-8(10)7-15-9/h6-7,11H,2-5,10H2,1H3
InChIKeyVJYTUYMXKYBIGF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.04
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide

4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide (PubChem CID 61300337) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide
PubChem CID61300337
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O3S2/c1-2-14-5-3-4-11-16(12,13)9-6-8(10)7-15-9/h6-7,11H,2-5,10H2,1H3
InChIKeyVJYTUYMXKYBIGF-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide (CID 61300337) is 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide is CCOCCCNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide?
The InChIKey is VJYTUYMXKYBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-2-14-5-3-4-11-16(12,13)9-6-8(10)7-15-9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide?
4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).