3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine

C12H24N2O2S — CID 47075454

IUPAC3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2C(C)CC2(C)C)C1
InChIInChI=1S/C12H24N2O2S/c1-10-6-5-7-13(9-10)17(15,16)14-11(2)8-12(14,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCWQYPUICXXNHGW-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.84
Rot. Bonds2

About 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine

3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine (PubChem CID 47075454) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine
PubChem CID47075454
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2C(C)CC2(C)C)C1
InChIInChI=1S/C12H24N2O2S/c1-10-6-5-7-13(9-10)17(15,16)14-11(2)8-12(14,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCWQYPUICXXNHGW-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine?
The IUPAC name of 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine (CID 47075454) is 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine is CC1CCCN(S(=O)(=O)N2C(C)CC2(C)C)C1.
What is the InChIKey of 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine?
The InChIKey is CWQYPUICXXNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-6-5-7-13(9-10)17(15,16)14-11(2)8-12(14,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine?
3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine has a molecular weight of 260.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,4-trimethylazetidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 47075454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).