5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide

C12H16N4O2S2 — CID 106089812

IUPAC5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CN)ccc2C)s1
InChIInChI=1S/C12H16N4O2S2/c1-3-11-14-15-12(19-11)16-20(17,18)10-6-9(7-13)5-4-8(10)2/h4-6H,3,7,13H2,1-2H3,(H,15,16)
InChIKeyRXQGNAXCUOCWMF-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.67
Rot. Bonds5

About 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide (PubChem CID 106089812) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
PubChem CID106089812
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CN)ccc2C)s1
InChIInChI=1S/C12H16N4O2S2/c1-3-11-14-15-12(19-11)16-20(17,18)10-6-9(7-13)5-4-8(10)2/h4-6H,3,7,13H2,1-2H3,(H,15,16)
InChIKeyRXQGNAXCUOCWMF-UHFFFAOYSA-N
XLogP1.67
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
CID 97034
n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 263197
Benzenesulfonamide, 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-methyl-
CID 158673
2-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 3010783
2-[5-(Methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010784
2-[5-(Allylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010785
2-[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010786
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 683960
N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 975476
N-(5-(4-methylphenyl)-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide
CID 129865047
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzene-1-sulfonamide
CID 71368238
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 71974671

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide (CID 106089812) is 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(CN)ccc2C)s1.
What is the InChIKey of 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is RXQGNAXCUOCWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-3-11-14-15-12(19-11)16-20(17,18)10-6-9(7-13)5-4-8(10)2/h4-6H,3,7,13H2,1-2H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106089812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).