3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide

C8H16N2O2S — CID 81196603

IUPAC3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide
SMILESCC(CS(=O)CC1CNC1)C(N)=O
InChIInChI=1S/C8H16N2O2S/c1-6(8(9)11)4-13(12)5-7-2-10-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyJWSIMOLNUOPKRQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.92
Rot. Bonds5

About 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide

3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide (PubChem CID 81196603) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide
PubChem CID81196603
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide
SMILESCC(CS(=O)CC1CNC1)C(N)=O
InChIInChI=1S/C8H16N2O2S/c1-6(8(9)11)4-13(12)5-7-2-10-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyJWSIMOLNUOPKRQ-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide
CID 22880882
4-(Azetidin-3-ylmethylsulfinyl)butan-2-one
CID 118335446
3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
CID 121428702
N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide
CID 135225050
1-(Azetidin-3-ylmethylsulfinyl)-4-methylpentan-3-one
CID 144912268
3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane
CID 145373218
3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide
CID 154948737
ethane;N-(2-oxo-2lambda6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide
CID 157037179
2,2-dimethyl-N-(2-oxo-2lambda6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide
CID 168788071
2-methyl-N-(2-propan-2-ylsulfinylethyl)propanamide
CID 172478759
N-(2-methylpropyl)-3-methylsulfinylpropanamide
CID 172514684
N-(3-methylsulfonylpropyl)azetidine-3-carboxamide
CID 65965360

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide?
The IUPAC name of 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide (CID 81196603) is 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide.
What is the SMILES notation for 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide?
The canonical SMILES for 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide is CC(CS(=O)CC1CNC1)C(N)=O.
What is the InChIKey of 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide?
The InChIKey is JWSIMOLNUOPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-6(8(9)11)4-13(12)5-7-2-10-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide?
3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide has a molecular weight of 204.29 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethylsulfinyl)-2-methylpropanamide is sourced from PubChem (CID 81196603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).