2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide

C13H22N2O3S2 — CID 106084440

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C13H22N2O3S2/c1-9-12(8-14-3)13(10(2)18-9)20(16,17)15-11-4-6-19-7-5-11/h11,14-15H,4-8H2,1-3H3
InChIKeyLQXDRGGBZFPXOD-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.79
Rot. Bonds5

About 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide (PubChem CID 106084440) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
PubChem CID106084440
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C13H22N2O3S2/c1-9-12(8-14-3)13(10(2)18-9)20(16,17)15-11-4-6-19-7-5-11/h11,14-15H,4-8H2,1-3H3
InChIKeyLQXDRGGBZFPXOD-UHFFFAOYSA-N
XLogP1.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-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-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
CID 106052694
1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
CID 104969169
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106061031
4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371
3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
CID 114135603
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106075114

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide (CID 106084440) is 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide?
The InChIKey is LQXDRGGBZFPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-9-12(8-14-3)13(10(2)18-9)20(16,17)15-11-4-6-19-7-5-11/h11,14-15H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide is sourced from PubChem (CID 106084440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).