2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine

C15H30N2O2S — CID 114593427

IUPAC2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C15H30N2O2S/c1-12-10-13(2)14(3)17(11-12)20(18,19)9-6-15-4-7-16-8-5-15/h12-16H,4-11H2,1-3H3
InChIKeyMVOIYYJNYPFNCB-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.07
Rot. Bonds4

About 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine

2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine (PubChem CID 114593427) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
PubChem CID114593427
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C15H30N2O2S/c1-12-10-13(2)14(3)17(11-12)20(18,19)9-6-15-4-7-16-8-5-15/h12-16H,4-11H2,1-3H3
InChIKeyMVOIYYJNYPFNCB-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethylsulfonyl)-2,3,5-trimethylpiperidine
CID 114594667
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine
CID 114597684
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 43149903
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine;hydrochloride
CID 120663388
3-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine-2,6-dione
CID 66067816
2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane
CID 128886066
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine?
The IUPAC name of 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine (CID 114593427) is 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine.
What is the SMILES notation for 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine?
The canonical SMILES for 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine is CC1CC(C)C(C)N(S(=O)(=O)CCC2CCNCC2)C1.
What is the InChIKey of 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine?
The InChIKey is MVOIYYJNYPFNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12-10-13(2)14(3)17(11-12)20(18,19)9-6-15-4-7-16-8-5-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine?
2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine has a molecular weight of 302.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine is sourced from PubChem (CID 114593427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).