1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine

C15H26N2O3S — CID 104969169

IUPAC1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H26N2O3S/c1-10-7-6-8-11(2)17(10)21(18,19)15-13(4)20-12(3)14(15)9-16-5/h10-11,16H,6-9H2,1-5H3/t10-,11+
InChIKeyCPGCFKODNYKKAA-PHIMTYICSA-N
MW314.45 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine

1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine (PubChem CID 104969169) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
PubChem CID104969169
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H26N2O3S/c1-10-7-6-8-11(2)17(10)21(18,19)15-13(4)20-12(3)14(15)9-16-5/h10-11,16H,6-9H2,1-5H3/t10-,11+
InChIKeyCPGCFKODNYKKAA-PHIMTYICSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
1-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methylphenyl]-N-methylmethanamine
CID 104969123
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 43257892
N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152835
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 83224009

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine (CID 104969169) is 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine is CNCc1c(C)oc(C)c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine?
The InChIKey is CPGCFKODNYKKAA-PHIMTYICSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-10-7-6-8-11(2)17(10)21(18,19)15-13(4)20-12(3)14(15)9-16-5/h10-11,16H,6-9H2,1-5H3/t10-,11+.
What are the key properties of 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine?
1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine has a molecular weight of 314.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104969169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).