1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine

C10H17NS2 — CID 12710055

IUPAC1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine
SMILESCC1=C(C)SC(N2CCCCC2)S1
InChIInChI=1S/C10H17NS2/c1-8-9(2)13-10(12-8)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3
InChIKeyWBFZFZWTAGXGAV-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.49
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine

1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine (PubChem CID 12710055) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine
PubChem CID12710055
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine
SMILESCC1=C(C)SC(N2CCCCC2)S1
InChIInChI=1S/C10H17NS2/c1-8-9(2)13-10(12-8)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3
InChIKeyWBFZFZWTAGXGAV-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine?
The IUPAC name of 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine (CID 12710055) is 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine is CC1=C(C)SC(N2CCCCC2)S1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine?
The InChIKey is WBFZFZWTAGXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-8-9(2)13-10(12-8)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine?
1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine has a molecular weight of 215.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-dithiol-2-yl)piperidine is sourced from PubChem (CID 12710055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).