3-(methylsulfinylmethyl)-1-propan-2-ylazetidine

C8H17NOS — CID 122414293

IUPAC3-(methylsulfinylmethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CS(C)=O)C1
InChIInChI=1S/C8H17NOS/c1-7(2)9-4-8(5-9)6-11(3)10/h7-8H,4-6H2,1-3H3
InChIKeyQMJVBNZCEKQANN-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.71
Rot. Bonds3

About 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine

3-(methylsulfinylmethyl)-1-propan-2-ylazetidine (PubChem CID 122414293) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-1-propan-2-ylazetidine
PubChem CID122414293
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-(methylsulfinylmethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CS(C)=O)C1
InChIInChI=1S/C8H17NOS/c1-7(2)9-4-8(5-9)6-11(3)10/h7-8H,4-6H2,1-3H3
InChIKeyQMJVBNZCEKQANN-UHFFFAOYSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine (CID 122414293) is 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine is CC(C)N1CC(CS(C)=O)C1.
What is the InChIKey of 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine?
The InChIKey is QMJVBNZCEKQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)9-4-8(5-9)6-11(3)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine?
3-(methylsulfinylmethyl)-1-propan-2-ylazetidine has a molecular weight of 175.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 122414293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).