4-tert-butyl-1-cyclopropylsulfonylpiperidine

C12H23NO2S — CID 59732265

IUPAC4-tert-butyl-1-cyclopropylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H23NO2S/c1-12(2,3)10-6-8-13(9-7-10)16(14,15)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyKIZSXVAVKPUQOT-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.24
Rot. Bonds2

About 4-tert-butyl-1-cyclopropylsulfonylpiperidine

4-tert-butyl-1-cyclopropylsulfonylpiperidine (PubChem CID 59732265) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylsulfonylpiperidine
PubChem CID59732265
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-tert-butyl-1-cyclopropylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H23NO2S/c1-12(2,3)10-6-8-13(9-7-10)16(14,15)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyKIZSXVAVKPUQOT-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-cyclopropylsulfonylpiperidine (CID 59732265) is 4-tert-butyl-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-cyclopropylsulfonylpiperidine is CC(C)(C)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylsulfonylpiperidine?
The InChIKey is KIZSXVAVKPUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-12(2,3)10-6-8-13(9-7-10)16(14,15)11-4-5-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylsulfonylpiperidine?
4-tert-butyl-1-cyclopropylsulfonylpiperidine has a molecular weight of 245.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 59732265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).