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

C12H19N5O2S2 — CID 106073530

IUPAC2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncn(C)n2)c(C)s1
InChIInChI=1S/C12H19N5O2S2/c1-9-11(6-10(20-9)7-13-2)21(18,19)15-5-4-12-14-8-17(3)16-12/h6,8,13,15H,4-5,7H2,1-3H3
InChIKeyHMBYTQJHAYVUIE-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.43
Rot. Bonds7

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

2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106073530) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106073530
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncn(C)n2)c(C)s1
InChIInChI=1S/C12H19N5O2S2/c1-9-11(6-10(20-9)7-13-2)21(18,19)15-5-4-12-14-8-17(3)16-12/h6,8,13,15H,4-5,7H2,1-3H3
InChIKeyHMBYTQJHAYVUIE-UHFFFAOYSA-N
XLogP0.43
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
2-methyl-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106067958
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
2-bromo-5-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106635
3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 106073563
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106073530) is 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCc2ncn(C)n2)c(C)s1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is HMBYTQJHAYVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-9-11(6-10(20-9)7-13-2)21(18,19)15-5-4-12-14-8-17(3)16-12/h6,8,13,15H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106073530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).