2-(azetidin-3-ylmethylsulfinyl)butanamide

C8H16N2O2S — CID 81197422

IUPAC2-(azetidin-3-ylmethylsulfinyl)butanamide
SMILESCCC(C(N)=O)S(=O)CC1CNC1
InChIInChI=1S/C8H16N2O2S/c1-2-7(8(9)11)13(12)5-6-3-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyRTSUHVOLXZDVSS-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.78
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfinyl)butanamide

2-(azetidin-3-ylmethylsulfinyl)butanamide (PubChem CID 81197422) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfinyl)butanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfinyl)butanamide
PubChem CID81197422
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-(azetidin-3-ylmethylsulfinyl)butanamide
SMILESCCC(C(N)=O)S(=O)CC1CNC1
InChIInChI=1S/C8H16N2O2S/c1-2-7(8(9)11)13(12)5-6-3-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyRTSUHVOLXZDVSS-UHFFFAOYSA-N
XLogP-0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfinyl)butanamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfinyl)butanamide (CID 81197422) is 2-(azetidin-3-ylmethylsulfinyl)butanamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfinyl)butanamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfinyl)butanamide is CCC(C(N)=O)S(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfinyl)butanamide?
The InChIKey is RTSUHVOLXZDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-7(8(9)11)13(12)5-6-3-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(azetidin-3-ylmethylsulfinyl)butanamide?
2-(azetidin-3-ylmethylsulfinyl)butanamide has a molecular weight of 204.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfinyl)butanamide is sourced from PubChem (CID 81197422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).