1-(4-methyl-1,3-dithiol-2-yl)piperidine

C9H15NS2 — CID 10488297

IUPAC1-(4-methyl-1,3-dithiol-2-yl)piperidine
SMILESCC1=CSC(N2CCCCC2)S1
InChIInChI=1S/C9H15NS2/c1-8-7-11-9(12-8)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3
InChIKeyNLLKBYMFBHLMSF-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.10
Rot. Bonds1

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

1-(4-methyl-1,3-dithiol-2-yl)piperidine (PubChem CID 10488297) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-dithiol-2-yl)piperidine.

Molecular Properties

Compound Name1-(4-methyl-1,3-dithiol-2-yl)piperidine
PubChem CID10488297
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name1-(4-methyl-1,3-dithiol-2-yl)piperidine
SMILESCC1=CSC(N2CCCCC2)S1
InChIInChI=1S/C9H15NS2/c1-8-7-11-9(12-8)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3
InChIKeyNLLKBYMFBHLMSF-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-Dimethyl-1,3-dithiol-2-yl)piperidine
CID 12710055
1-[[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine
CID 14980431
1-[3,3-Bis(ethylsulfanyl)prop-2-enyl]piperidine
CID 10900906
1-(4-Methyl-1,3-dithiol-2-ylidene)piperidin-1-ium
CID 11089251
1-(2H-1,3-Dithiol-2-yl)piperidine
CID 14269947

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-dithiol-2-yl)piperidine?
The IUPAC name of 1-(4-methyl-1,3-dithiol-2-yl)piperidine (CID 10488297) is 1-(4-methyl-1,3-dithiol-2-yl)piperidine.
What is the SMILES notation for 1-(4-methyl-1,3-dithiol-2-yl)piperidine?
The canonical SMILES for 1-(4-methyl-1,3-dithiol-2-yl)piperidine is CC1=CSC(N2CCCCC2)S1.
What is the InChIKey of 1-(4-methyl-1,3-dithiol-2-yl)piperidine?
The InChIKey is NLLKBYMFBHLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-8-7-11-9(12-8)10-5-3-2-4-6-10/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4-methyl-1,3-dithiol-2-yl)piperidine?
1-(4-methyl-1,3-dithiol-2-yl)piperidine has a molecular weight of 201.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-dithiol-2-yl)piperidine is sourced from PubChem (CID 10488297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).