1-tert-butyl-4-(ethylsulfonylmethyl)piperidine

C12H25NO2S — CID 162210071

IUPAC1-tert-butyl-4-(ethylsulfonylmethyl)piperidine
SMILESCCS(=O)(=O)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-5-16(14,15)10-11-6-8-13(9-7-11)12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZSSOISZWYYPBTA-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.93
Rot. Bonds3

About 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine

1-tert-butyl-4-(ethylsulfonylmethyl)piperidine (PubChem CID 162210071) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(ethylsulfonylmethyl)piperidine
PubChem CID162210071
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-tert-butyl-4-(ethylsulfonylmethyl)piperidine
SMILESCCS(=O)(=O)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-5-16(14,15)10-11-6-8-13(9-7-11)12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZSSOISZWYYPBTA-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine (CID 162210071) is 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine is CCS(=O)(=O)CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine?
The InChIKey is ZSSOISZWYYPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-16(14,15)10-11-6-8-13(9-7-11)12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine?
1-tert-butyl-4-(ethylsulfonylmethyl)piperidine has a molecular weight of 247.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(ethylsulfonylmethyl)piperidine is sourced from PubChem (CID 162210071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).