3-(cyclohexylmethylsulfinylmethyl)azetidine

C11H21NOS — CID 81196611

IUPAC3-(cyclohexylmethylsulfinylmethyl)azetidine
SMILESO=S(CC1CCCCC1)CC1CNC1
InChIInChI=1S/C11H21NOS/c13-14(9-11-6-12-7-11)8-10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyGCOHEZDEOOODOV-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.53
Rot. Bonds4

About 3-(cyclohexylmethylsulfinylmethyl)azetidine

3-(cyclohexylmethylsulfinylmethyl)azetidine (PubChem CID 81196611) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfinylmethyl)azetidine
PubChem CID81196611
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-(cyclohexylmethylsulfinylmethyl)azetidine
SMILESO=S(CC1CCCCC1)CC1CNC1
InChIInChI=1S/C11H21NOS/c13-14(9-11-6-12-7-11)8-10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyGCOHEZDEOOODOV-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(cyclohexylmethylsulfinylmethyl)azetidine (CID 81196611) is 3-(cyclohexylmethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(cyclohexylmethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(cyclohexylmethylsulfinylmethyl)azetidine is O=S(CC1CCCCC1)CC1CNC1.
What is the InChIKey of 3-(cyclohexylmethylsulfinylmethyl)azetidine?
The InChIKey is GCOHEZDEOOODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-14(9-11-6-12-7-11)8-10-4-2-1-3-5-10/h10-12H,1-9H2.
What are the key properties of 3-(cyclohexylmethylsulfinylmethyl)azetidine?
3-(cyclohexylmethylsulfinylmethyl)azetidine has a molecular weight of 215.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).