5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide

C10H15N5O2S2 — CID 106283146

IUPAC5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCN)s1)c1ncn[nH]1
InChIInChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-2-8(18-9)4-5-11/h2-3,6-7,15H,4-5,11H2,1H3,(H,12,13,14)
InChIKeyASPVTCGQYPZWEW-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.41
Rot. Bonds6

About 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106283146) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106283146
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCN)s1)c1ncn[nH]1
InChIInChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-2-8(18-9)4-5-11/h2-3,6-7,15H,4-5,11H2,1H3,(H,12,13,14)
InChIKeyASPVTCGQYPZWEW-UHFFFAOYSA-N
XLogP0.41
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 121567929
2,5-dimethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 129609384
2,5-dimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 164631301
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 57699335
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-3-sulfonamide
CID 54883494
5-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 54947111
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 56789912
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60977548
1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978734
1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
CID 60978886
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978892
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 60982828

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 106283146) is 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(CCN)s1)c1ncn[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ASPVTCGQYPZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-2-8(18-9)4-5-11/h2-3,6-7,15H,4-5,11H2,1H3,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106283146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).