(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione

C16H17NOS — CID 878187

IUPAC(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(-c2ccccc2)o1)N1CCCCC1
InChIInChI=1S/C16H17NOS/c19-16(17-11-5-2-6-12-17)15-10-9-14(18-15)13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyRIANADWHHGJPRV-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.11
Rot. Bonds2

About (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione

(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione (PubChem CID 878187) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione
PubChem CID878187
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(-c2ccccc2)o1)N1CCCCC1
InChIInChI=1S/C16H17NOS/c19-16(17-11-5-2-6-12-17)15-10-9-14(18-15)13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyRIANADWHHGJPRV-UHFFFAOYSA-N
XLogP4.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_A(6)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione?
The IUPAC name of (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione (CID 878187) is (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione?
The canonical SMILES for (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione is S=C(c1ccc(-c2ccccc2)o1)N1CCCCC1.
What is the InChIKey of (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione?
The InChIKey is RIANADWHHGJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c19-16(17-11-5-2-6-12-17)15-10-9-14(18-15)13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione?
(5-phenylfuran-2-yl)-piperidin-1-ylmethanethione has a molecular weight of 271.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylfuran-2-yl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 878187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).