2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide

C8H16N2O2S — CID 115739196

IUPAC2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)CC1CNC1
InChIInChI=1S/C8H16N2O2S/c1-13(12)3-2-10-8(11)4-7-5-9-6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyBBGGUXNNENLPHA-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.91
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide

2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide (PubChem CID 115739196) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
PubChem CID115739196
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)CC1CNC1
InChIInChI=1S/C8H16N2O2S/c1-13(12)3-2-10-8(11)4-7-5-9-6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyBBGGUXNNENLPHA-UHFFFAOYSA-N
XLogP-0.91
TPSA58.20 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 ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
CID 115739281
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 80540037
2-(azetidin-3-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 64609560
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
N-(5-methoxypentyl)-2-pyrrolidin-3-ylacetamide
CID 104954739

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide (CID 115739196) is 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide is CS(=O)CCNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide?
The InChIKey is BBGGUXNNENLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(12)3-2-10-8(11)4-7-5-9-6-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide?
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide has a molecular weight of 204.29 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide is sourced from PubChem (CID 115739196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).