1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine

C13H23NOS — CID 105179277

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1=COCCC1
InChIInChI=1S/C13H23NOS/c1-14-13(12-3-2-6-15-10-12)9-11-4-7-16-8-5-11/h10-11,13-14H,2-9H2,1H3
InChIKeyFSPMFYRZBGRJPV-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.80
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105179277) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105179277
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1=COCCC1
InChIInChI=1S/C13H23NOS/c1-14-13(12-3-2-6-15-10-12)9-11-4-7-16-8-5-11/h10-11,13-14H,2-9H2,1H3
InChIKeyFSPMFYRZBGRJPV-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105033473
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 113370560
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105179377
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
[3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232413

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine (CID 105179277) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is FSPMFYRZBGRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-14-13(12-3-2-6-15-10-12)9-11-4-7-16-8-5-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 241.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).