2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide

C11H14N4O2S3 — CID 106081251

IUPAC2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C11H14N4O2S3/c1-7-5-18-9(4-12-8-2-3-8)10(7)20(16,17)15-11-14-13-6-19-11/h5-6,8,12H,2-4H2,1H3,(H,14,15)
InChIKeyJMEBOYQXXRHZEK-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.96
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 106081251) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
PubChem CID106081251
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C11H14N4O2S3/c1-7-5-18-9(4-12-8-2-3-8)10(7)20(16,17)15-11-14-13-6-19-11/h5-6,8,12H,2-4H2,1H3,(H,14,15)
InChIKeyJMEBOYQXXRHZEK-UHFFFAOYSA-N
XLogP1.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-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-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 106081360
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide
CID 106069710
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
CID 106069339
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide (CID 106081251) is 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is JMEBOYQXXRHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-7-5-18-9(4-12-8-2-3-8)10(7)20(16,17)15-11-14-13-6-19-11/h5-6,8,12H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 330.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).