2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione

C13H19NS2 — CID 24973292

IUPAC2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione
SMILESCc1cc(CC(=S)N2CCCCC2)c(C)s1
InChIInChI=1S/C13H19NS2/c1-10-8-12(11(2)16-10)9-13(15)14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyYHFSJWLGJBTESS-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.72
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione

2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione (PubChem CID 24973292) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione
PubChem CID24973292
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione
SMILESCc1cc(CC(=S)N2CCCCC2)c(C)s1
InChIInChI=1S/C13H19NS2/c1-10-8-12(11(2)16-10)9-13(15)14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyYHFSJWLGJBTESS-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione (CID 24973292) is 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione is Cc1cc(CC(=S)N2CCCCC2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione?
The InChIKey is YHFSJWLGJBTESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-10-8-12(11(2)16-10)9-13(15)14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione?
2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione has a molecular weight of 253.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione is sourced from PubChem (CID 24973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).