1-methylsulfinyl-4-piperidin-1-ylpiperidine

C11H22N2OS — CID 143249728

IUPAC1-methylsulfinyl-4-piperidin-1-ylpiperidine
SMILESCS(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H22N2OS/c1-15(14)13-9-5-11(6-10-13)12-7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyXXYVTXVAPHABIC-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.23
Rot. Bonds2

About 1-methylsulfinyl-4-piperidin-1-ylpiperidine

1-methylsulfinyl-4-piperidin-1-ylpiperidine (PubChem CID 143249728) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-methylsulfinyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfinyl-4-piperidin-1-ylpiperidine
PubChem CID143249728
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-methylsulfinyl-4-piperidin-1-ylpiperidine
SMILESCS(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H22N2OS/c1-15(14)13-9-5-11(6-10-13)12-7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyXXYVTXVAPHABIC-UHFFFAOYSA-N
XLogP1.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
1-cyclohexylpiperidine;methane
CID 143122486
4-piperidin-1-yl-1-sulfanylpiperidine
CID 90720397
1-methanidyl-4-pyrrolidin-1-ylpiperidine
CID 20723224
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-methylsulfinyl-4-piperidin-1-ylpiperidine (CID 143249728) is 1-methylsulfinyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-methylsulfinyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-methylsulfinyl-4-piperidin-1-ylpiperidine is CS(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-methylsulfinyl-4-piperidin-1-ylpiperidine?
The InChIKey is XXYVTXVAPHABIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15(14)13-9-5-11(6-10-13)12-7-3-2-4-8-12/h11H,2-10H2,1H3.
What are the key properties of 1-methylsulfinyl-4-piperidin-1-ylpiperidine?
1-methylsulfinyl-4-piperidin-1-ylpiperidine has a molecular weight of 230.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 143249728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).