3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine

C9H19NO2S — CID 164831348

IUPAC3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCCC1(S(=O)(=O)C(C)C)CN(C)C1
InChIInChI=1S/C9H19NO2S/c1-5-9(6-10(4)7-9)13(11,12)8(2)3/h8H,5-7H2,1-4H3
InChIKeyCAQQZKJPIDYORY-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.90
Rot. Bonds3

About 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine

3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine (PubChem CID 164831348) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine
PubChem CID164831348
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine
SMILESCCC1(S(=O)(=O)C(C)C)CN(C)C1
InChIInChI=1S/C9H19NO2S/c1-5-9(6-10(4)7-9)13(11,12)8(2)3/h8H,5-7H2,1-4H3
InChIKeyCAQQZKJPIDYORY-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
CID 136548119
3-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
4-(3-fluoro-3-methylbutyl)sulfonyl-N,N-dimethylbutan-1-amine
CID 157417918
4-(3-Fluoro-3-methylbutyl)sulfonylbutyl-trimethylazanium
CID 158715572
N,N,N,2,2-Pentamethyl-1,1-dioxo-1lambda~6~-thietan-3-aminium iodide
CID 24192478
1-Methyl-3-(methylsulfonylmethyl)azetidine
CID 58035128
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777
3-Tert-butylsulfinyl-1-methylazetidine
CID 59522785

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine (CID 164831348) is 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine is CCC1(S(=O)(=O)C(C)C)CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine?
The InChIKey is CAQQZKJPIDYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-9(6-10(4)7-9)13(11,12)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine?
3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 164831348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).