3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine

C10H17NOS — CID 102647896

IUPAC3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCS1
InChIInChI=1S/C10H17NOS/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-10H,1-3,5-7,11H2
InChIKeyXNBQJNQZLWHJEE-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.90
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine

3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine (PubChem CID 102647896) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine
PubChem CID102647896
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCS1
InChIInChI=1S/C10H17NOS/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-10H,1-3,5-7,11H2
InChIKeyXNBQJNQZLWHJEE-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine (CID 102647896) is 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine is NC(C1=CCCCO1)C1CCCS1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine?
The InChIKey is XNBQJNQZLWHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-10H,1-3,5-7,11H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanamine has a molecular weight of 199.32 g/mol, XLogP of 1.90, 2 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-6-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 102647896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).