N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide

C10H14N4O3S2 — CID 56722169

IUPACN-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCN(Cc1n[nH]c(=O)n1Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C10H14N4O3S2/c1-13(19(2,16)17)7-9-11-12-10(15)14(9)6-8-4-3-5-18-8/h3-5H,6-7H2,1-2H3,(H,12,15)
InChIKeyZVVBGTXXFAVNPG-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.07
Rot. Bonds5

About N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide

N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide (PubChem CID 56722169) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide
PubChem CID56722169
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCN(Cc1n[nH]c(=O)n1Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C10H14N4O3S2/c1-13(19(2,16)17)7-9-11-12-10(15)14(9)6-8-4-3-5-18-8/h3-5H,6-7H2,1-2H3,(H,12,15)
InChIKeyZVVBGTXXFAVNPG-UHFFFAOYSA-N
XLogP0.07
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide (CID 56722169) is N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide is CN(Cc1n[nH]c(=O)n1Cc1cccs1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The InChIKey is ZVVBGTXXFAVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-13(19(2,16)17)7-9-11-12-10(15)14(9)6-8-4-3-5-18-8/h3-5H,6-7H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-oxo-4-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).