1-ethylsulfinyl-4-methylpiperidine

C8H17NOS — CID 143149412

IUPAC1-ethylsulfinyl-4-methylpiperidine
SMILESCCS(=O)N1CCC(C)CC1
InChIInChI=1S/C8H17NOS/c1-3-11(10)9-6-4-8(2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyPXVJVPXHSKMEAO-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.40
Rot. Bonds2

About 1-ethylsulfinyl-4-methylpiperidine

1-ethylsulfinyl-4-methylpiperidine (PubChem CID 143149412) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-ethylsulfinyl-4-methylpiperidine.

Molecular Properties

Compound Name1-ethylsulfinyl-4-methylpiperidine
PubChem CID143149412
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-ethylsulfinyl-4-methylpiperidine
SMILESCCS(=O)N1CCC(C)CC1
InChIInChI=1S/C8H17NOS/c1-3-11(10)9-6-4-8(2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyPXVJVPXHSKMEAO-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-4-methylpiperidine?
The IUPAC name of 1-ethylsulfinyl-4-methylpiperidine (CID 143149412) is 1-ethylsulfinyl-4-methylpiperidine.
What is the SMILES notation for 1-ethylsulfinyl-4-methylpiperidine?
The canonical SMILES for 1-ethylsulfinyl-4-methylpiperidine is CCS(=O)N1CCC(C)CC1.
What is the InChIKey of 1-ethylsulfinyl-4-methylpiperidine?
The InChIKey is PXVJVPXHSKMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-11(10)9-6-4-8(2)5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfinyl-4-methylpiperidine?
1-ethylsulfinyl-4-methylpiperidine has a molecular weight of 175.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-4-methylpiperidine is sourced from PubChem (CID 143149412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).