3-methylsulfinyl-1-propan-2-ylazetidine

C7H15NOS — CID 122414297

IUPAC3-methylsulfinyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(S(C)=O)C1
InChIInChI=1S/C7H15NOS/c1-6(2)8-4-7(5-8)10(3)9/h6-7H,4-5H2,1-3H3
InChIKeyDCJXQDYLWJYFIS-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds2

About 3-methylsulfinyl-1-propan-2-ylazetidine

3-methylsulfinyl-1-propan-2-ylazetidine (PubChem CID 122414297) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-methylsulfinyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methylsulfinyl-1-propan-2-ylazetidine
PubChem CID122414297
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-methylsulfinyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(S(C)=O)C1
InChIInChI=1S/C7H15NOS/c1-6(2)8-4-7(5-8)10(3)9/h6-7H,4-5H2,1-3H3
InChIKeyDCJXQDYLWJYFIS-UHFFFAOYSA-N
XLogP0.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
1-propan-2-ylazetidine-3-carbaldehyde
CID 22896263
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-1-propan-2-ylazetidine?
The IUPAC name of 3-methylsulfinyl-1-propan-2-ylazetidine (CID 122414297) is 3-methylsulfinyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methylsulfinyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-methylsulfinyl-1-propan-2-ylazetidine is CC(C)N1CC(S(C)=O)C1.
What is the InChIKey of 3-methylsulfinyl-1-propan-2-ylazetidine?
The InChIKey is DCJXQDYLWJYFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)8-4-7(5-8)10(3)9/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfinyl-1-propan-2-ylazetidine?
3-methylsulfinyl-1-propan-2-ylazetidine has a molecular weight of 161.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-1-propan-2-ylazetidine is sourced from PubChem (CID 122414297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).