1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine

C11H23NOS — CID 59762014

IUPAC1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCS(C)=O)CC1
InChIInChI=1S/C11H23NOS/c1-10(2)11-4-6-12(7-5-11)8-9-14(3)13/h10-11H,4-9H2,1-3H3
InChIKeyGMGOWYREDBRNOR-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine

1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine (PubChem CID 59762014) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
PubChem CID59762014
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCS(C)=O)CC1
InChIInChI=1S/C11H23NOS/c1-10(2)11-4-6-12(7-5-11)8-9-14(3)13/h10-11H,4-9H2,1-3H3
InChIKeyGMGOWYREDBRNOR-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine (CID 59762014) is 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CCS(C)=O)CC1.
What is the InChIKey of 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine?
The InChIKey is GMGOWYREDBRNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2)11-4-6-12(7-5-11)8-9-14(3)13/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine?
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine has a molecular weight of 217.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 59762014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).