3-(3-methylsulfonylpropyl)-3-propylazetidine

C10H21NO2S — CID 79451221

IUPAC3-(3-methylsulfonylpropyl)-3-propylazetidine
SMILESCCCC1(CCCS(C)(=O)=O)CNC1
InChIInChI=1S/C10H21NO2S/c1-3-5-10(8-11-9-10)6-4-7-14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyVNVBVCZXTQAUIC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds6

About 3-(3-methylsulfonylpropyl)-3-propylazetidine

3-(3-methylsulfonylpropyl)-3-propylazetidine (PubChem CID 79451221) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropyl)-3-propylazetidine.

Molecular Properties

Compound Name3-(3-methylsulfonylpropyl)-3-propylazetidine
PubChem CID79451221
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(3-methylsulfonylpropyl)-3-propylazetidine
SMILESCCCC1(CCCS(C)(=O)=O)CNC1
InChIInChI=1S/C10H21NO2S/c1-3-5-10(8-11-9-10)6-4-7-14(2,12)13/h11H,3-9H2,1-2H3
InChIKeyVNVBVCZXTQAUIC-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropyl)-3-propylazetidine?
The IUPAC name of 3-(3-methylsulfonylpropyl)-3-propylazetidine (CID 79451221) is 3-(3-methylsulfonylpropyl)-3-propylazetidine.
What is the SMILES notation for 3-(3-methylsulfonylpropyl)-3-propylazetidine?
The canonical SMILES for 3-(3-methylsulfonylpropyl)-3-propylazetidine is CCCC1(CCCS(C)(=O)=O)CNC1.
What is the InChIKey of 3-(3-methylsulfonylpropyl)-3-propylazetidine?
The InChIKey is VNVBVCZXTQAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-5-10(8-11-9-10)6-4-7-14(2,12)13/h11H,3-9H2,1-2H3.
What are the key properties of 3-(3-methylsulfonylpropyl)-3-propylazetidine?
3-(3-methylsulfonylpropyl)-3-propylazetidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropyl)-3-propylazetidine is sourced from PubChem (CID 79451221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).