5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide

C10H15N5O2S2 — CID 106283763

IUPAC5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)cs1
InChIInChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-8(4-11-2)18-5-9/h3,5-7,11,15H,4H2,1-2H3,(H,12,13,14)
InChIKeyDJWVCIYZEPRYFL-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.63
Rot. Bonds6

About 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide

5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106283763) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106283763
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)cs1
InChIInChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-8(4-11-2)18-5-9/h3,5-7,11,15H,4H2,1-2H3,(H,12,13,14)
InChIKeyDJWVCIYZEPRYFL-UHFFFAOYSA-N
XLogP0.63
TPSA99.77 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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283858
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106010442
5-[2-(methylamino)ethyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283970
3-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 106283726
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 106283763) is 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is DJWVCIYZEPRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-7(10-12-6-13-14-10)15-19(16,17)9-3-8(4-11-2)18-5-9/h3,5-7,11,15H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).