2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine

C8H15NS — CID 105430852

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
SMILESCC(C)(N)C1=CCSCC1
InChIInChI=1S/C8H15NS/c1-8(2,9)7-3-5-10-6-4-7/h3H,4-6,9H2,1-2H3
InChIKeyHCBPDDQLUHWMPP-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds1

About 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine

2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine (PubChem CID 105430852) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
PubChem CID105430852
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
SMILESCC(C)(N)C1=CCSCC1
InChIInChI=1S/C8H15NS/c1-8(2,9)7-3-5-10-6-4-7/h3H,4-6,9H2,1-2H3
InChIKeyHCBPDDQLUHWMPP-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine (CID 105430852) is 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine is CC(C)(N)C1=CCSCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
The InChIKey is HCBPDDQLUHWMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2,9)7-3-5-10-6-4-7/h3H,4-6,9H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine?
2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine has a molecular weight of 157.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine is sourced from PubChem (CID 105430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).