5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

C9H12N4O2S3 — CID 106082868

IUPAC5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(C)c(CN)s2)s1
InChIInChI=1S/C9H12N4O2S3/c1-5-3-8(17-7(5)4-10)18(14,15)13-9-12-11-6(2)16-9/h3H,4,10H2,1-2H3,(H,12,13)
InChIKeyARKARLIUCQKGFK-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.48
Rot. Bonds4

About 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 106082868) has the molecular formula C9H12N4O2S3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID106082868
Molecular FormulaC9H12N4O2S3
Molecular Weight304.42 g/mol
Exact Mass304.01
IUPAC Name5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(C)c(CN)s2)s1
InChIInChI=1S/C9H12N4O2S3/c1-5-3-8(17-7(5)4-10)18(14,15)13-9-12-11-6(2)16-9/h3H,4,10H2,1-2H3,(H,12,13)
InChIKeyARKARLIUCQKGFK-UHFFFAOYSA-N
XLogP1.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide
CID 106053641
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35538778
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106071815

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (CID 106082868) is 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is Cc1nnc(NS(=O)(=O)c2cc(C)c(CN)s2)s1.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is ARKARLIUCQKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S3/c1-5-3-8(17-7(5)4-10)18(14,15)13-9-12-11-6(2)16-9/h3H,4,10H2,1-2H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).