4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide

C13H22N2O3S2 — CID 102754376

IUPAC4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC1(C)CCCO1
InChIInChI=1S/C13H22N2O3S2/c1-10-8-19-11(7-14-3)12(10)20(16,17)15-9-13(2)5-4-6-18-13/h8,14-15H,4-7,9H2,1-3H3
InChIKeyZYMGKMGNPKUNTQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.62
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 102754376) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID102754376
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC1(C)CCCO1
InChIInChI=1S/C13H22N2O3S2/c1-10-8-19-11(7-14-3)12(10)20(16,17)15-9-13(2)5-4-6-18-13/h8,14-15H,4-7,9H2,1-3H3
InChIKeyZYMGKMGNPKUNTQ-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-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

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
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
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide (CID 102754376) is 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCC1(C)CCCO1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is ZYMGKMGNPKUNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-8-19-11(7-14-3)12(10)20(16,17)15-9-13(2)5-4-6-18-13/h8,14-15H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.62, 6 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-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102754376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).