2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione

C12H19NS2 — CID 2820351

IUPAC2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione
SMILESCC1(C)CC(N2CCCCC2)=CC(=S)S1
InChIInChI=1S/C12H19NS2/c1-12(2)9-10(8-11(14)15-12)13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyJCJYWZHUEVSGSD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.60
Rot. Bonds1

About 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione

2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione (PubChem CID 2820351) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione.

Molecular Properties

Compound Name2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione
PubChem CID2820351
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione
SMILESCC1(C)CC(N2CCCCC2)=CC(=S)S1
InChIInChI=1S/C12H19NS2/c1-12(2)9-10(8-11(14)15-12)13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyJCJYWZHUEVSGSD-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione?
The IUPAC name of 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione (CID 2820351) is 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione.
What is the SMILES notation for 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione?
The canonical SMILES for 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione is CC1(C)CC(N2CCCCC2)=CC(=S)S1.
What is the InChIKey of 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione?
The InChIKey is JCJYWZHUEVSGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-12(2)9-10(8-11(14)15-12)13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione?
2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione has a molecular weight of 241.42 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione is sourced from PubChem (CID 2820351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).