3-methyl-3-methylsulfanylazetidine

C5H11NS — CID 166920554

IUPAC3-methyl-3-methylsulfanylazetidine
SMILESCSC1(C)CNC1
InChIInChI=1S/C5H11NS/c1-5(7-2)3-6-4-5/h6H,3-4H2,1-2H3
InChIKeyYMWYLVOAZLOFSB-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds1

About 3-methyl-3-methylsulfanylazetidine

3-methyl-3-methylsulfanylazetidine (PubChem CID 166920554) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3-methyl-3-methylsulfanylazetidine.

Molecular Properties

Compound Name3-methyl-3-methylsulfanylazetidine
PubChem CID166920554
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3-methyl-3-methylsulfanylazetidine
SMILESCSC1(C)CNC1
InChIInChI=1S/C5H11NS/c1-5(7-2)3-6-4-5/h6H,3-4H2,1-2H3
InChIKeyYMWYLVOAZLOFSB-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylsulfanyl)azetidine hydrochloride
CID 57415899
3-(Methylsulfanyl)azetidine-3-carbonitrile hydrochloride
CID 155978416
3-(Methylsulfanyl)azetidine
CID 54026681
3-Fluoro-3-methylsulfanylazetidine
CID 170103554
3-Fluoro-3-(methylsulfanylmethyl)azetidine
CID 155290858
3-(Methylsulfanylmethyl)azetidine;hydrochloride
CID 24799126
3-((Methylthio)methyl)azetidine
CID 24799127
3-(Propan-2-ylsulfanylmethyl)azetidine
CID 53797324
3-(Ethylsulfanyl)azetidine
CID 53891342
3-[(Ethylsulfanyl)methyl]azetidine
CID 54085885
3-(Propylsulfanylmethyl)azetidine
CID 54318651
3-Propan-2-ylsulfanylazetidine
CID 54470041

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfanylazetidine?
The IUPAC name of 3-methyl-3-methylsulfanylazetidine (CID 166920554) is 3-methyl-3-methylsulfanylazetidine.
What is the SMILES notation for 3-methyl-3-methylsulfanylazetidine?
The canonical SMILES for 3-methyl-3-methylsulfanylazetidine is CSC1(C)CNC1.
What is the InChIKey of 3-methyl-3-methylsulfanylazetidine?
The InChIKey is YMWYLVOAZLOFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(7-2)3-6-4-5/h6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-3-methylsulfanylazetidine?
3-methyl-3-methylsulfanylazetidine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfanylazetidine is sourced from PubChem (CID 166920554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).