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1-(1-ethylsulfinylpentan-2-yl)piperidine

C12H25NOS — CID 54503972

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(1-ethylsulfinylpentan-2-yl)piperidine
SMILESCCCC(CS(=O)CC)N1CCCCC1
InChIInChI=1S/C12H25NOS/c1-3-8-12(11-15(14)4-2)13-9-6-5-7-10-13/h12H,3-11H2,1-2H3
InChIKeyYEKDQKGJVHOZDI-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds6

About 1-(1-ethylsulfinylpentan-2-yl)piperidine

1-(1-ethylsulfinylpentan-2-yl)piperidine (PubChem CID 54503972) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-(1-ethylsulfinylpentan-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-ethylsulfinylpentan-2-yl)piperidine
PubChem CID54503972
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-(1-ethylsulfinylpentan-2-yl)piperidine
SMILESCCCC(CS(=O)CC)N1CCCCC1
InChIInChI=1S/C12H25NOS/c1-3-8-12(11-15(14)4-2)13-9-6-5-7-10-13/h12H,3-11H2,1-2H3
InChIKeyYEKDQKGJVHOZDI-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfinylpentan-2-yl)piperidine?
The IUPAC name of 1-(1-ethylsulfinylpentan-2-yl)piperidine (CID 54503972) is 1-(1-ethylsulfinylpentan-2-yl)piperidine.
What is the SMILES notation for 1-(1-ethylsulfinylpentan-2-yl)piperidine?
The canonical SMILES for 1-(1-ethylsulfinylpentan-2-yl)piperidine is CCCC(CS(=O)CC)N1CCCCC1.
What is the InChIKey of 1-(1-ethylsulfinylpentan-2-yl)piperidine?
The InChIKey is YEKDQKGJVHOZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-8-12(11-15(14)4-2)13-9-6-5-7-10-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-(1-ethylsulfinylpentan-2-yl)piperidine?
1-(1-ethylsulfinylpentan-2-yl)piperidine has a molecular weight of 231.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfinylpentan-2-yl)piperidine is sourced from PubChem (CID 54503972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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