1-(1-ethylsulfinylbutan-2-yl)piperidine

C11H23NOS — CID 54457795

IUPAC1-(1-ethylsulfinylbutan-2-yl)piperidine
SMILESCCC(CS(=O)CC)N1CCCCC1
InChIInChI=1S/C11H23NOS/c1-3-11(10-14(13)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyWZLHLDMPNMNBRD-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds5

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

1-(1-ethylsulfinylbutan-2-yl)piperidine (PubChem CID 54457795) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(1-ethylsulfinylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-ethylsulfinylbutan-2-yl)piperidine
PubChem CID54457795
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(1-ethylsulfinylbutan-2-yl)piperidine
SMILESCCC(CS(=O)CC)N1CCCCC1
InChIInChI=1S/C11H23NOS/c1-3-11(10-14(13)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyWZLHLDMPNMNBRD-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfinylbutan-2-yl)piperidine?
The IUPAC name of 1-(1-ethylsulfinylbutan-2-yl)piperidine (CID 54457795) is 1-(1-ethylsulfinylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(1-ethylsulfinylbutan-2-yl)piperidine?
The canonical SMILES for 1-(1-ethylsulfinylbutan-2-yl)piperidine is CCC(CS(=O)CC)N1CCCCC1.
What is the InChIKey of 1-(1-ethylsulfinylbutan-2-yl)piperidine?
The InChIKey is WZLHLDMPNMNBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-11(10-14(13)4-2)12-8-6-5-7-9-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylsulfinylbutan-2-yl)piperidine?
1-(1-ethylsulfinylbutan-2-yl)piperidine has a molecular weight of 217.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfinylbutan-2-yl)piperidine is sourced from PubChem (CID 54457795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).