2-(azetidin-1-ylsulfinyl)propyl propanoate

C9H17NO3S — CID 151115348

IUPAC2-(azetidin-1-ylsulfinyl)propyl propanoate
SMILESCCC(=O)OCC(C)S(=O)N1CCC1
InChIInChI=1S/C9H17NO3S/c1-3-9(11)13-7-8(2)14(12)10-5-4-6-10/h8H,3-7H2,1-2H3
InChIKeyMRALLNOKZXTTAR-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.70
Rot. Bonds5

About 2-(azetidin-1-ylsulfinyl)propyl propanoate

2-(azetidin-1-ylsulfinyl)propyl propanoate (PubChem CID 151115348) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfinyl)propyl propanoate.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfinyl)propyl propanoate
PubChem CID151115348
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(azetidin-1-ylsulfinyl)propyl propanoate
SMILESCCC(=O)OCC(C)S(=O)N1CCC1
InChIInChI=1S/C9H17NO3S/c1-3-9(11)13-7-8(2)14(12)10-5-4-6-10/h8H,3-7H2,1-2H3
InChIKeyMRALLNOKZXTTAR-UHFFFAOYSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfinyl)propyl propanoate?
The IUPAC name of 2-(azetidin-1-ylsulfinyl)propyl propanoate (CID 151115348) is 2-(azetidin-1-ylsulfinyl)propyl propanoate.
What is the SMILES notation for 2-(azetidin-1-ylsulfinyl)propyl propanoate?
The canonical SMILES for 2-(azetidin-1-ylsulfinyl)propyl propanoate is CCC(=O)OCC(C)S(=O)N1CCC1.
What is the InChIKey of 2-(azetidin-1-ylsulfinyl)propyl propanoate?
The InChIKey is MRALLNOKZXTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-9(11)13-7-8(2)14(12)10-5-4-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-1-ylsulfinyl)propyl propanoate?
2-(azetidin-1-ylsulfinyl)propyl propanoate has a molecular weight of 219.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfinyl)propyl propanoate is sourced from PubChem (CID 151115348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).