2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide

C10H20N2OS — CID 115977035

IUPAC2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)NC(=O)CC1CNC1
InChIInChI=1S/C10H20N2OS/c1-3-9(7-14-2)12-10(13)4-8-5-11-6-8/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFNIXUHUMIPHHIJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.85
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide

2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide (PubChem CID 115977035) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide
PubChem CID115977035
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)NC(=O)CC1CNC1
InChIInChI=1S/C10H20N2OS/c1-3-9(7-14-2)12-10(13)4-8-5-11-6-8/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFNIXUHUMIPHHIJ-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
CID 64611012
2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
CID 115739602
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207
2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 64610380
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
CID 81392554
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide (CID 115977035) is 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide is CCC(CSC)NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is FNIXUHUMIPHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-9(7-14-2)12-10(13)4-8-5-11-6-8/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide?
2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 216.35 g/mol, XLogP of 0.85, 6 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-(1-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115977035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).