1-ethylsulfonyl-4-methylsulfanylpiperidine

C8H17NO2S2 — CID 123419475

IUPAC1-ethylsulfonyl-4-methylsulfanylpiperidine
SMILESCCS(=O)(=O)N1CCC(SC)CC1
InChIInChI=1S/C8H17NO2S2/c1-3-13(10,11)9-6-4-8(12-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeySVTWLXPCFBLJIN-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.16
Rot. Bonds3

About 1-ethylsulfonyl-4-methylsulfanylpiperidine

1-ethylsulfonyl-4-methylsulfanylpiperidine (PubChem CID 123419475) has the molecular formula C8H17NO2S2 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methylsulfanylpiperidine
PubChem CID123419475
Molecular FormulaC8H17NO2S2
Molecular Weight223.36 g/mol
Exact Mass223.07
IUPAC Name1-ethylsulfonyl-4-methylsulfanylpiperidine
SMILESCCS(=O)(=O)N1CCC(SC)CC1
InChIInChI=1S/C8H17NO2S2/c1-3-13(10,11)9-6-4-8(12-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeySVTWLXPCFBLJIN-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-methylsulfanylpiperidine?
The IUPAC name of 1-ethylsulfonyl-4-methylsulfanylpiperidine (CID 123419475) is 1-ethylsulfonyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-methylsulfanylpiperidine?
The canonical SMILES for 1-ethylsulfonyl-4-methylsulfanylpiperidine is CCS(=O)(=O)N1CCC(SC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-methylsulfanylpiperidine?
The InChIKey is SVTWLXPCFBLJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S2/c1-3-13(10,11)9-6-4-8(12-2)5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-methylsulfanylpiperidine?
1-ethylsulfonyl-4-methylsulfanylpiperidine has a molecular weight of 223.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 123419475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).