1-(3-methylbutyl)-3-methylsulfonylazetidine

C9H19NO2S — CID 59761793

IUPAC1-(3-methylbutyl)-3-methylsulfonylazetidine
SMILESCC(C)CCN1CC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)4-5-10-6-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyKEUJRARNUCLTBF-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds4

About 1-(3-methylbutyl)-3-methylsulfonylazetidine

1-(3-methylbutyl)-3-methylsulfonylazetidine (PubChem CID 59761793) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-methylsulfonylazetidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-methylsulfonylazetidine
PubChem CID59761793
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(3-methylbutyl)-3-methylsulfonylazetidine
SMILESCC(C)CCN1CC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)4-5-10-6-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyKEUJRARNUCLTBF-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-methylsulfonylazetidine?
The IUPAC name of 1-(3-methylbutyl)-3-methylsulfonylazetidine (CID 59761793) is 1-(3-methylbutyl)-3-methylsulfonylazetidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-methylsulfonylazetidine?
The canonical SMILES for 1-(3-methylbutyl)-3-methylsulfonylazetidine is CC(C)CCN1CC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-methylsulfonylazetidine?
The InChIKey is KEUJRARNUCLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)4-5-10-6-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-methylsulfonylazetidine?
1-(3-methylbutyl)-3-methylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-methylsulfonylazetidine is sourced from PubChem (CID 59761793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).