N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide

C9H11NO4S2 — CID 126821576

IUPACN-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide
SMILESC#CC(CO)NS(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H11NO4S2/c1-3-7(6-11)10-16(12,13)9-8(14-2)4-5-15-9/h1,4-5,7,10-11H,6H2,2H3
InChIKeyJRWINQRIQJVLFV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.03
Rot. Bonds5

About N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide

N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide (PubChem CID 126821576) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide
PubChem CID126821576
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC NameN-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide
SMILESC#CC(CO)NS(=O)(=O)c1sccc1OC
InChIInChI=1S/C9H11NO4S2/c1-3-7(6-11)10-16(12,13)9-8(14-2)4-5-15-9/h1,4-5,7,10-11H,6H2,2H3
InChIKeyJRWINQRIQJVLFV-UHFFFAOYSA-N
XLogP0.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
CID 126830217
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
2-ethyl-N-(1-hydroxybut-3-yn-2-yl)benzenesulfonamide
CID 127266243
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
CID 155949428
N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
3-amino-4-methoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160385
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide (CID 126821576) is N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide is C#CC(CO)NS(=O)(=O)c1sccc1OC.
What is the InChIKey of N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide?
The InChIKey is JRWINQRIQJVLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-3-7(6-11)10-16(12,13)9-8(14-2)4-5-15-9/h1,4-5,7,10-11H,6H2,2H3.
What are the key properties of N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide?
N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 126821576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).