4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine

C10H21NO4S2 — CID 110736097

IUPAC4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO4S2/c1-3-8-17(14,15)11-6-4-10(5-7-11)9-16(2,12)13/h10H,3-9H2,1-2H3
InChIKeyJATLHVVYFAYWLT-UHFFFAOYSA-N
MW283.41 g/mol
LogP0.48
Rot. Bonds5

About 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine

4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine (PubChem CID 110736097) has the molecular formula C10H21NO4S2 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
PubChem CID110736097
Molecular FormulaC10H21NO4S2
Molecular Weight283.41 g/mol
Exact Mass283.09
IUPAC Name4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO4S2/c1-3-8-17(14,15)11-6-4-10(5-7-11)9-16(2,12)13/h10H,3-9H2,1-2H3
InChIKeyJATLHVVYFAYWLT-UHFFFAOYSA-N
XLogP0.48
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine?
The IUPAC name of 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine (CID 110736097) is 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine?
The InChIKey is JATLHVVYFAYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-3-8-17(14,15)11-6-4-10(5-7-11)9-16(2,12)13/h10H,3-9H2,1-2H3.
What are the key properties of 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine?
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine has a molecular weight of 283.41 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine is sourced from PubChem (CID 110736097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).