2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide

C10H20N2OS — CID 115739816

IUPAC2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)CC1CNC1
InChIInChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)4-8-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyIJGQWZGJKWNYDR-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.85
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide

2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide (PubChem CID 115739816) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
PubChem CID115739816
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)CC1CNC1
InChIInChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)4-8-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyIJGQWZGJKWNYDR-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
CID 64618961
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2-(azetidin-3-yl)-N-hydroxyacetamide
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N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
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N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
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CID 115738814
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 115977035
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
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CID 103810817

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide (CID 115739816) is 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide is CSC(C)(C)CNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The InChIKey is IJGQWZGJKWNYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)4-8-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide has a molecular weight of 216.35 g/mol, XLogP of 0.85, 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-methyl-2-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 115739816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).