[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine

C14H24N2O3S — CID 114597738

IUPAC[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C14H24N2O3S/c1-9-5-10(2)11(3)16(8-9)20(17,18)14-6-13(7-15)19-12(14)4/h6,9-11H,5,7-8,15H2,1-4H3
InChIKeyRCZQZHMXNNJEGW-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.10
Rot. Bonds3

About [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine

[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine (PubChem CID 114597738) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
PubChem CID114597738
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C14H24N2O3S/c1-9-5-10(2)11(3)16(8-9)20(17,18)14-6-13(7-15)19-12(14)4/h6,9-11H,5,7-8,15H2,1-4H3
InChIKeyRCZQZHMXNNJEGW-UHFFFAOYSA-N
XLogP2.10
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine 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

[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
CID 106590010
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 79187624
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-2,3,5-trimethylpiperidine
CID 102920193

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine (CID 114597738) is [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine is Cc1oc(CN)cc1S(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine?
The InChIKey is RCZQZHMXNNJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9-5-10(2)11(3)16(8-9)20(17,18)14-6-13(7-15)19-12(14)4/h6,9-11H,5,7-8,15H2,1-4H3.
What are the key properties of [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine?
[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine has a molecular weight of 300.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine is sourced from PubChem (CID 114597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).