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

C10H15N5O2S2 — CID 106077162

IUPAC5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCn2ccnn2)s1
InChIInChI=1S/C10H15N5O2S2/c1-11-8-9-2-3-10(18-9)19(16,17)13-5-7-15-6-4-12-14-15/h2-4,6,11,13H,5,7-8H2,1H3
InChIKeyYVLYPXUTLZXLIE-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.04
Rot. Bonds7

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

5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106077162) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106077162
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCn2ccnn2)s1
InChIInChI=1S/C10H15N5O2S2/c1-11-8-9-2-3-10(18-9)19(16,17)13-5-7-15-6-4-12-14-15/h2-4,6,11,13H,5,7-8H2,1H3
InChIKeyYVLYPXUTLZXLIE-UHFFFAOYSA-N
XLogP0.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 106077162) is 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCn2ccnn2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YVLYPXUTLZXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-11-8-9-2-3-10(18-9)19(16,17)13-5-7-15-6-4-12-14-15/h2-4,6,11,13H,5,7-8H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106077162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).