4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

C13H18N2O2S3 — CID 106049854

IUPAC4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C13H18N2O2S3/c1-10-8-19-12(7-14-2)13(10)20(16,17)15-5-3-11-4-6-18-9-11/h4,6,8-9,14-15H,3,5,7H2,1-2H3
InChIKeyNZHSEWZLZOSDOA-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.36
Rot. Bonds7

About 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (PubChem CID 106049854) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
PubChem CID106049854
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C13H18N2O2S3/c1-10-8-19-12(7-14-2)13(10)20(16,17)15-5-3-11-4-6-18-9-11/h4,6,8-9,14-15H,3,5,7H2,1-2H3
InChIKeyNZHSEWZLZOSDOA-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-[(3-bromophenyl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106018690
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (CID 106049854) is 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The InChIKey is NZHSEWZLZOSDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-10-8-19-12(7-14-2)13(10)20(16,17)15-5-3-11-4-6-18-9-11/h4,6,8-9,14-15H,3,5,7H2,1-2H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).