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

C10H14N4O3S2 — CID 106283893

IUPAC5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)sc1CO
InChIInChI=1S/C10H14N4O3S2/c1-6-3-9(18-8(6)4-15)19(16,17)14-7(2)10-11-5-12-13-10/h3,5,7,14-15H,4H2,1-2H3,(H,11,12,13)
InChIKeyUHUUPKHQOGAEJD-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.71
Rot. Bonds5

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

5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106283893) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106283893
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)sc1CO
InChIInChI=1S/C10H14N4O3S2/c1-6-3-9(18-8(6)4-15)19(16,17)14-7(2)10-11-5-12-13-10/h3,5,7,14-15H,4H2,1-2H3,(H,11,12,13)
InChIKeyUHUUPKHQOGAEJD-UHFFFAOYSA-N
XLogP0.71
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283941
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283146
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
5-[2-(methylamino)ethyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283970
2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106283959
2-chloro-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283886
2,3-difluoro-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283949
2-bromo-5-(ethylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283745

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 106283893) is 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)sc1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is UHUUPKHQOGAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-6-3-9(18-8(6)4-15)19(16,17)14-7(2)10-11-5-12-13-10/h3,5,7,14-15H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106283893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).