2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide

C11H19NO3S3 — CID 106002506

IUPAC2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C11H19NO3S3/c1-16-7-4-2-3-6-12-18(14,15)11-5-8-17-10(11)9-13/h5,8,12-13H,2-4,6-7,9H2,1H3
InChIKeyPVFFMZYXLXZBNT-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.05
Rot. Bonds9

About 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide

2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide (PubChem CID 106002506) has the molecular formula C11H19NO3S3 and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
PubChem CID106002506
Molecular FormulaC11H19NO3S3
Molecular Weight309.48 g/mol
Exact Mass309.05
IUPAC Name2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C11H19NO3S3/c1-16-7-4-2-3-6-12-18(14,15)11-5-8-17-10(11)9-13/h5,8,12-13H,2-4,6-7,9H2,1H3
InChIKeyPVFFMZYXLXZBNT-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.05
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

5-(hydroxymethyl)-2-methyl-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106002448
N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132259
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
4-methyl-3-(5-methylsulfanylpentylsulfamoyl)benzoic acid
CID 104920938
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
5-(aminomethyl)-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093679
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide (CID 106002506) is 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide is CSCCCCCNS(=O)(=O)c1ccsc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
The InChIKey is PVFFMZYXLXZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S3/c1-16-7-4-2-3-6-12-18(14,15)11-5-8-17-10(11)9-13/h5,8,12-13H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide has a molecular weight of 309.48 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106002506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).