3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide

C9H16N2O3S2 — CID 119964955

IUPAC3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCCCNS(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H16N2O3S2/c1-10-5-3-6-11-16(12,13)9-8(14-2)4-7-15-9/h4,7,10-11H,3,5-6H2,1-2H3
InChIKeyOPQSPFZJJSWRAU-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.64
Rot. Bonds7

About 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide

3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide (PubChem CID 119964955) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
PubChem CID119964955
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCCCNS(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H16N2O3S2/c1-10-5-3-6-11-16(12,13)9-8(14-2)4-7-15-9/h4,7,10-11H,3,5-6H2,1-2H3
InChIKeyOPQSPFZJJSWRAU-UHFFFAOYSA-N
XLogP0.64
TPSA67.43 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 ≤ 50.64
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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Related Compounds

3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297
N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
CID 126830217
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide (CID 119964955) is 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide is CNCCCNS(=O)(=O)c1sccc1OC.
What is the InChIKey of 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is OPQSPFZJJSWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-10-5-3-6-11-16(12,13)9-8(14-2)4-7-15-9/h4,7,10-11H,3,5-6H2,1-2H3.
What are the key properties of 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119964955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).