1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine

C14H28N2O2S — CID 150350852

IUPAC1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine
SMILESCS(=O)(=O)N1CCC(CCCN2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-19(17,18)16-12-7-14(8-13-16)6-5-11-15-9-3-2-4-10-15/h14H,2-13H2,1H3
InChIKeyGTSCZMWZBFRQJX-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds5

About 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine

1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine (PubChem CID 150350852) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine
PubChem CID150350852
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine
SMILESCS(=O)(=O)N1CCC(CCCN2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-19(17,18)16-12-7-14(8-13-16)6-5-11-15-9-3-2-4-10-15/h14H,2-13H2,1H3
InChIKeyGTSCZMWZBFRQJX-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine?
The IUPAC name of 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine (CID 150350852) is 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine?
The canonical SMILES for 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine is CS(=O)(=O)N1CCC(CCCN2CCCCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine?
The InChIKey is GTSCZMWZBFRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-19(17,18)16-12-7-14(8-13-16)6-5-11-15-9-3-2-4-10-15/h14H,2-13H2,1H3.
What are the key properties of 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine?
1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine has a molecular weight of 288.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(3-piperidin-1-ylpropyl)piperidine is sourced from PubChem (CID 150350852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).