3-(2-methylpropyl)-1-methylsulfonylazetidine

C8H17NO2S — CID 58970616

IUPAC3-(2-methylpropyl)-1-methylsulfonylazetidine
SMILESCC(C)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)4-8-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyVVPWSXJPTPTGIC-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.92
Rot. Bonds3

About 3-(2-methylpropyl)-1-methylsulfonylazetidine

3-(2-methylpropyl)-1-methylsulfonylazetidine (PubChem CID 58970616) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-methylsulfonylazetidine
PubChem CID58970616
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(2-methylpropyl)-1-methylsulfonylazetidine
SMILESCC(C)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)4-8-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyVVPWSXJPTPTGIC-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-methylsulfonylazetidine?
The IUPAC name of 3-(2-methylpropyl)-1-methylsulfonylazetidine (CID 58970616) is 3-(2-methylpropyl)-1-methylsulfonylazetidine.
What is the SMILES notation for 3-(2-methylpropyl)-1-methylsulfonylazetidine?
The canonical SMILES for 3-(2-methylpropyl)-1-methylsulfonylazetidine is CC(C)CC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-methylsulfonylazetidine?
The InChIKey is VVPWSXJPTPTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)4-8-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-1-methylsulfonylazetidine?
3-(2-methylpropyl)-1-methylsulfonylazetidine has a molecular weight of 191.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-methylsulfonylazetidine is sourced from PubChem (CID 58970616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).