4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine

C15H31NO2S — CID 23590677

IUPAC4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)(C)CC1(C(C)(C)C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO2S/c1-13(2,3)12-15(14(4,5)6)8-10-16(11-9-15)19(7,17)18/h8-12H2,1-7H3
InChIKeyRCMHVMVBGWDICD-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.51
Rot. Bonds2

About 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine

4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine (PubChem CID 23590677) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
PubChem CID23590677
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
SMILESCC(C)(C)CC1(C(C)(C)C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO2S/c1-13(2,3)12-15(14(4,5)6)8-10-16(11-9-15)19(7,17)18/h8-12H2,1-7H3
InChIKeyRCMHVMVBGWDICD-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine (CID 23590677) is 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine is CC(C)(C)CC1(C(C)(C)C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
The InChIKey is RCMHVMVBGWDICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-13(2,3)12-15(14(4,5)6)8-10-16(11-9-15)19(7,17)18/h8-12H2,1-7H3.
What are the key properties of 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine?
4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine has a molecular weight of 289.49 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 23590677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).