2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

C15H28N2OS — CID 114628152

IUPAC2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)CSC2CCNCC2)C1
InChIInChI=1S/C15H28N2OS/c1-11-8-12(2)13(3)17(9-11)15(18)10-19-14-4-6-16-7-5-14/h11-14,16H,4-10H2,1-3H3
InChIKeyNSGMQSBXPQSDAY-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.36
Rot. Bonds3

About 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 114628152) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
PubChem CID114628152
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)CSC2CCNCC2)C1
InChIInChI=1S/C15H28N2OS/c1-11-8-12(2)13(3)17(9-11)15(18)10-19-14-4-6-16-7-5-14/h11-14,16H,4-10H2,1-3H3
InChIKeyNSGMQSBXPQSDAY-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (CID 114628152) is 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is CC1CC(C)C(C)N(C(=O)CSC2CCNCC2)C1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is NSGMQSBXPQSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11-8-12(2)13(3)17(9-11)15(18)10-19-14-4-6-16-7-5-14/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 284.47 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114628152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).