1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine

C10H19NOS — CID 102647520

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-8(2)13-7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyGOFAQRCTONYHBQ-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.15
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 102647520) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID102647520
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-8(2)13-7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyGOFAQRCTONYHBQ-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine (CID 102647520) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is GOFAQRCTONYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(2)13-7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 201.33 g/mol, XLogP of 2.15, 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-6-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 102647520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).