4-tert-butylsulfonyl-1-methylsulfonylpiperidine

C10H21NO4S2 — CID 91509292

IUPAC4-tert-butylsulfonyl-1-methylsulfonylpiperidine
SMILESCC(C)(C)S(=O)(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO4S2/c1-10(2,3)17(14,15)9-5-7-11(8-6-9)16(4,12)13/h9H,5-8H2,1-4H3
InChIKeyIGFWYNGSTUFEDF-UHFFFAOYSA-N
MW283.41 g/mol
LogP0.62
Rot. Bonds2

About 4-tert-butylsulfonyl-1-methylsulfonylpiperidine

4-tert-butylsulfonyl-1-methylsulfonylpiperidine (PubChem CID 91509292) has the molecular formula C10H21NO4S2 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-1-methylsulfonylpiperidine
PubChem CID91509292
Molecular FormulaC10H21NO4S2
Molecular Weight283.41 g/mol
Exact Mass283.09
IUPAC Name4-tert-butylsulfonyl-1-methylsulfonylpiperidine
SMILESCC(C)(C)S(=O)(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO4S2/c1-10(2,3)17(14,15)9-5-7-11(8-6-9)16(4,12)13/h9H,5-8H2,1-4H3
InChIKeyIGFWYNGSTUFEDF-UHFFFAOYSA-N
XLogP0.62
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-tert-butylsulfonyl-1-methylsulfonylpiperidine (CID 91509292) is 4-tert-butylsulfonyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butylsulfonyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-tert-butylsulfonyl-1-methylsulfonylpiperidine is CC(C)(C)S(=O)(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-tert-butylsulfonyl-1-methylsulfonylpiperidine?
The InChIKey is IGFWYNGSTUFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-10(2,3)17(14,15)9-5-7-11(8-6-9)16(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-1-methylsulfonylpiperidine?
4-tert-butylsulfonyl-1-methylsulfonylpiperidine has a molecular weight of 283.41 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 91509292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).