2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane

C14H25NOS — CID 142603279

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane
SMILESCC.CCCC(C)(N)C1OCCc2sccc21
InChIInChI=1S/C12H19NOS.C2H6/c1-3-6-12(2,13)11-9-5-8-15-10(9)4-7-14-11;1-2/h5,8,11H,3-4,6-7,13H2,1-2H3;1-2H3
InChIKeyWDMAVSIVQNUBCS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.91
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane

2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane (PubChem CID 142603279) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane
PubChem CID142603279
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane
SMILESCC.CCCC(C)(N)C1OCCc2sccc21
InChIInChI=1S/C12H19NOS.C2H6/c1-3-6-12(2,13)11-9-5-8-15-10(9)4-7-14-11;1-2/h5,8,11H,3-4,6-7,13H2,1-2H3;1-2H3
InChIKeyWDMAVSIVQNUBCS-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane (CID 142603279) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane is CC.CCCC(C)(N)C1OCCc2sccc21.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane?
The InChIKey is WDMAVSIVQNUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS.C2H6/c1-3-6-12(2,13)11-9-5-8-15-10(9)4-7-14-11;1-2/h5,8,11H,3-4,6-7,13H2,1-2H3;1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane?
2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane has a molecular weight of 255.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)pentan-2-amine;ethane is sourced from PubChem (CID 142603279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).