4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide

C11H14N2O2S3 — CID 114141603

IUPAC4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccsc2)cc1C
InChIInChI=1S/C11H14N2O2S3/c1-8-5-11(17-10(8)6-12-2)18(14,15)13-9-3-4-16-7-9/h3-5,7,12-13H,6H2,1-2H3
InChIKeyMHJRTPUJNKWWCK-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide (PubChem CID 114141603) has the molecular formula C11H14N2O2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
PubChem CID114141603
Molecular FormulaC11H14N2O2S3
Molecular Weight302.45 g/mol
Exact Mass302.02
IUPAC Name4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccsc2)cc1C
InChIInChI=1S/C11H14N2O2S3/c1-8-5-11(17-10(8)6-12-2)18(14,15)13-9-3-4-16-7-9/h3-5,7,12-13H,6H2,1-2H3
InChIKeyMHJRTPUJNKWWCK-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106044813
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide (CID 114141603) is 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)Nc2ccsc2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide?
The InChIKey is MHJRTPUJNKWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3/c1-8-5-11(17-10(8)6-12-2)18(14,15)13-9-3-4-16-7-9/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide has a molecular weight of 302.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 114141603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).