3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine

C12H25NO2S — CID 167076236

IUPAC3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(C(CC)C(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-5-7-16(14,15)13-8-11(9-13)12(6-2)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyIKUZMAAUGIFJQP-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine

3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine (PubChem CID 167076236) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine.

Molecular Properties

Compound Name3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine
PubChem CID167076236
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(C(CC)C(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-5-7-16(14,15)13-8-11(9-13)12(6-2)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyIKUZMAAUGIFJQP-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine?
The IUPAC name of 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine (CID 167076236) is 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine.
What is the SMILES notation for 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine?
The canonical SMILES for 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine is CCCS(=O)(=O)N1CC(C(CC)C(C)C)C1.
What is the InChIKey of 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine?
The InChIKey is IKUZMAAUGIFJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-7-16(14,15)13-8-11(9-13)12(6-2)10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine?
3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine has a molecular weight of 247.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-yl)-1-propylsulfonylazetidine is sourced from PubChem (CID 167076236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).