1-ethylsulfinylpiperidine

C7H15NOS — CID 6422832

IUPAC1-ethylsulfinylpiperidine
SMILESCCS(=O)N1CCCCC1
InChIInChI=1S/C7H15NOS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyZVCIDRXWERDXIO-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.16
Rot. Bonds2

About 1-ethylsulfinylpiperidine

1-ethylsulfinylpiperidine (PubChem CID 6422832) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-ethylsulfinylpiperidine.

Molecular Properties

Compound Name1-ethylsulfinylpiperidine
PubChem CID6422832
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-ethylsulfinylpiperidine
SMILESCCS(=O)N1CCCCC1
InChIInChI=1S/C7H15NOS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyZVCIDRXWERDXIO-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylpiperidine?
The IUPAC name of 1-ethylsulfinylpiperidine (CID 6422832) is 1-ethylsulfinylpiperidine.
What is the SMILES notation for 1-ethylsulfinylpiperidine?
The canonical SMILES for 1-ethylsulfinylpiperidine is CCS(=O)N1CCCCC1.
What is the InChIKey of 1-ethylsulfinylpiperidine?
The InChIKey is ZVCIDRXWERDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of 1-ethylsulfinylpiperidine?
1-ethylsulfinylpiperidine has a molecular weight of 161.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylpiperidine is sourced from PubChem (CID 6422832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).