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

C11H14N4O2S2 — CID 106082813

IUPAC3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cccc(CN)c2C)s1
InChIInChI=1S/C11H14N4O2S2/c1-7-9(6-12)4-3-5-10(7)19(16,17)15-11-14-13-8(2)18-11/h3-5H,6,12H2,1-2H3,(H,14,15)
InChIKeyVAJZSKKKUIKBCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.41
Rot. Bonds4

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

3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106082813) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106082813
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cccc(CN)c2C)s1
InChIInChI=1S/C11H14N4O2S2/c1-7-9(6-12)4-3-5-10(7)19(16,17)15-11-14-13-8(2)18-11/h3-5H,6,12H2,1-2H3,(H,14,15)
InChIKeyVAJZSKKKUIKBCP-UHFFFAOYSA-N
XLogP1.41
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082837
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082921
2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35538778
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106082813) is 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cccc(CN)c2C)s1.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is VAJZSKKKUIKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-7-9(6-12)4-3-5-10(7)19(16,17)15-11-14-13-8(2)18-11/h3-5H,6,12H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).