3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine

C12H17NOS — CID 105033479

IUPAC3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2=COCCC2)s1
InChIInChI=1S/C12H17NOS/c1-2-10-5-6-11(15-10)12(13)9-4-3-7-14-8-9/h5-6,8,12H,2-4,7,13H2,1H3
InChIKeyRNMHYBBVTZOUFS-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.00
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine

3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine (PubChem CID 105033479) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
PubChem CID105033479
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2=COCCC2)s1
InChIInChI=1S/C12H17NOS/c1-2-10-5-6-11(15-10)12(13)9-4-3-7-14-8-9/h5-6,8,12H,2-4,7,13H2,1H3
InChIKeyRNMHYBBVTZOUFS-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
CID 106656355
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033503
1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033279
(4-butoxyphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179416
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
3,4-dihydro-2H-pyran-5-yl-(3-methylfuran-2-yl)methanamine
CID 104804172
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine (CID 105033479) is 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)C2=COCCC2)s1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is RNMHYBBVTZOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-10-5-6-11(15-10)12(13)9-4-3-7-14-8-9/h5-6,8,12H,2-4,7,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine?
3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 223.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105033479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).