2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide

C13H23N3O2S2 — CID 106050570

IUPAC2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-14-9-12-13(5-7-19-12)20(17,18)15-8-11-4-3-6-16(2)10-11/h5,7,11,14-15H,3-4,6,8-10H2,1-2H3
InChIKeyITPVWDCVNDRQAQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.09
Rot. Bonds6

About 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide

2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106050570) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID106050570
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-14-9-12-13(5-7-19-12)20(17,18)15-8-11-4-3-6-16(2)10-11/h5,7,11,14-15H,3-4,6,8-10H2,1-2H3
InChIKeyITPVWDCVNDRQAQ-UHFFFAOYSA-N
XLogP1.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]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-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072195
2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
CID 106590013
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66387990
N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074074
N-(1,4-dioxan-2-ylmethyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106016685
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 106267926
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide (CID 106050570) is 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCC1CCCN(C)C1.
What is the InChIKey of 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is ITPVWDCVNDRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-14-9-12-13(5-7-19-12)20(17,18)15-8-11-4-3-6-16(2)10-11/h5,7,11,14-15H,3-4,6,8-10H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).