2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide

C11H22N2O2S — CID 81197021

IUPAC2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)CC1CNC1
InChIInChI=1S/C11H22N2O2S/c1-4-13(5-2)11(14)9(3)16(15)8-10-6-12-7-10/h9-10,12H,4-8H2,1-3H3
InChIKeyRNFPFZPBTAXWOD-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.21
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide

2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide (PubChem CID 81197021) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide
PubChem CID81197021
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)CC1CNC1
InChIInChI=1S/C11H22N2O2S/c1-4-13(5-2)11(14)9(3)16(15)8-10-6-12-7-10/h9-10,12H,4-8H2,1-3H3
InChIKeyRNFPFZPBTAXWOD-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfinyl)butanamide
CID 81197422
2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 116678990
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912
2-(azetidin-3-yl)-N-butan-2-yl-N-ethylpropanamide
CID 116674787
2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
CID 63874454
3-(propan-2-ylsulfinylmethyl)pyrrolidine
CID 84655394
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,N-diethyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 55248539

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide (CID 81197021) is 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)S(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide?
The InChIKey is RNFPFZPBTAXWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-4-13(5-2)11(14)9(3)16(15)8-10-6-12-7-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide?
2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide has a molecular weight of 246.38 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide is sourced from PubChem (CID 81197021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).