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

C9H13N5O2S2 — CID 106077153

IUPAC5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCn2ccnn2)cs1
InChIInChI=1S/C9H13N5O2S2/c10-6-8-5-9(7-17-8)18(15,16)12-2-4-14-3-1-11-13-14/h1,3,5,7,12H,2,4,6,10H2
InChIKeyIYWVYCQPHUKALY-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.22
Rot. Bonds6

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

5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106077153) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106077153
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCn2ccnn2)cs1
InChIInChI=1S/C9H13N5O2S2/c10-6-8-5-9(7-17-8)18(15,16)12-2-4-14-3-1-11-13-14/h1,3,5,7,12H,2,4,6,10H2
InChIKeyIYWVYCQPHUKALY-UHFFFAOYSA-N
XLogP-0.22
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077061
5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077042
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (CID 106077153) is 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCCn2ccnn2)cs1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is IYWVYCQPHUKALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c10-6-8-5-9(7-17-8)18(15,16)12-2-4-14-3-1-11-13-14/h1,3,5,7,12H,2,4,6,10H2.
What are the key properties of 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106077153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).