3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine

C9H19NS — CID 134553891

IUPAC3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine
SMILESCSC(C1CNC1)C(C)(C)C
InChIInChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3
InChIKeyOVBIXIMOGCLACD-UHFFFAOYSA-N
MW173.32 g/mol
LogP1.98
Rot. Bonds2

About 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine

3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine (PubChem CID 134553891) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine.

Molecular Properties

Compound Name3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine
PubChem CID134553891
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine
SMILESCSC(C1CNC1)C(C)(C)C
InChIInChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3
InChIKeyOVBIXIMOGCLACD-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?
The IUPAC name of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine (CID 134553891) is 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine.
What is the SMILES notation for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?
The canonical SMILES for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine is CSC(C1CNC1)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?
The InChIKey is OVBIXIMOGCLACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?
3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine has a molecular weight of 173.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine is sourced from PubChem (CID 134553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).