2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C13H18N4O2S2 — CID 106082921

IUPAC2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(CNC)cc1S(=O)(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H18N4O2S2/c1-4-11-6-5-10(8-14-3)7-12(11)21(18,19)17-13-16-15-9(2)20-13/h5-7,14H,4,8H2,1-3H3,(H,16,17)
InChIKeyNCCROJUVCORNDY-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.93
Rot. Bonds6

About 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106082921) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106082921
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(CNC)cc1S(=O)(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H18N4O2S2/c1-4-11-6-5-10(8-14-3)7-12(11)21(18,19)17-13-16-15-9(2)20-13/h5-7,14H,4,8H2,1-3H3,(H,16,17)
InChIKeyNCCROJUVCORNDY-UHFFFAOYSA-N
XLogP1.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35538778
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
1-[4-(ethylaminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082807
4-bromo-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91660871
2-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082837
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089812
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106054763
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106082921) is 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1ccc(CNC)cc1S(=O)(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NCCROJUVCORNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-4-11-6-5-10(8-14-3)7-12(11)21(18,19)17-13-16-15-9(2)20-13/h5-7,14H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106082921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).