2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide

C13H17N3O2S3 — CID 106053148

IUPAC2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H17N3O2S3/c1-8-7-19-11(6-14)12(8)21(17,18)16-13-15-9-4-2-3-5-10(9)20-13/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeySKHWPTZLYUDJBH-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.65
Rot. Bonds4

About 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 106053148) has the molecular formula C13H17N3O2S3 and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
PubChem CID106053148
Molecular FormulaC13H17N3O2S3
Molecular Weight343.50 g/mol
Exact Mass343.05
IUPAC Name2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H17N3O2S3/c1-8-7-19-11(6-14)12(8)21(17,18)16-13-15-9-4-2-3-5-10(9)20-13/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeySKHWPTZLYUDJBH-UHFFFAOYSA-N
XLogP2.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 10270918
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60700337
4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61073899
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide (CID 106053148) is 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is SKHWPTZLYUDJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S3/c1-8-7-19-11(6-14)12(8)21(17,18)16-13-15-9-4-2-3-5-10(9)20-13/h7H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 343.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106053148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).