2-(1,3-dithiolan-2-ylmethyl)piperidine

C9H17NS2 — CID 11805804

IUPAC2-(1,3-dithiolan-2-ylmethyl)piperidine
SMILESC1CCC(CC2SCCS2)NC1
InChIInChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2
InChIKeyBYAAAENIHWBQIZ-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.32
Rot. Bonds2

About 2-(1,3-dithiolan-2-ylmethyl)piperidine

2-(1,3-dithiolan-2-ylmethyl)piperidine (PubChem CID 11805804) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-ylmethyl)piperidine
PubChem CID11805804
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2-(1,3-dithiolan-2-ylmethyl)piperidine
SMILESC1CCC(CC2SCCS2)NC1
InChIInChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2
InChIKeyBYAAAENIHWBQIZ-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-ylmethyl)piperidine?
The IUPAC name of 2-(1,3-dithiolan-2-ylmethyl)piperidine (CID 11805804) is 2-(1,3-dithiolan-2-ylmethyl)piperidine.
What is the SMILES notation for 2-(1,3-dithiolan-2-ylmethyl)piperidine?
The canonical SMILES for 2-(1,3-dithiolan-2-ylmethyl)piperidine is C1CCC(CC2SCCS2)NC1.
What is the InChIKey of 2-(1,3-dithiolan-2-ylmethyl)piperidine?
The InChIKey is BYAAAENIHWBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2.
What are the key properties of 2-(1,3-dithiolan-2-ylmethyl)piperidine?
2-(1,3-dithiolan-2-ylmethyl)piperidine has a molecular weight of 203.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-ylmethyl)piperidine is sourced from PubChem (CID 11805804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).