5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide

C9H12N4O3S2 — CID 114135368

IUPAC5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1csc(CO)c1
InChIInChI=1S/C9H12N4O3S2/c14-6-8-5-9(7-17-8)18(15,16)11-2-4-13-3-1-10-12-13/h1,3,5,7,11,14H,2,4,6H2
InChIKeyWBFZMZIWBAMQHD-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.19
Rot. Bonds6

About 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 114135368) has the molecular formula C9H12N4O3S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
PubChem CID114135368
Molecular FormulaC9H12N4O3S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Name5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1csc(CO)c1
InChIInChI=1S/C9H12N4O3S2/c14-6-8-5-9(7-17-8)18(15,16)11-2-4-13-3-1-10-12-13/h1,3,5,7,11,14H,2,4,6H2
InChIKeyWBFZMZIWBAMQHD-UHFFFAOYSA-N
XLogP-0.19
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077153
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 114134426
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077237
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (CID 114135368) is 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is O=S(=O)(NCCn1ccnn1)c1csc(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is WBFZMZIWBAMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S2/c14-6-8-5-9(7-17-8)18(15,16)11-2-4-13-3-1-10-12-13/h1,3,5,7,11,14H,2,4,6H2.
What are the key properties of 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 114135368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).