(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine

C8H17NO3S — CID 174329540

IUPAC(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine
SMILESCC[C@H]1CCN1S(=O)(=O)CCOC
InChIInChI=1S/C8H17NO3S/c1-3-8-4-5-9(8)13(10,11)7-6-12-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHCDBFPCIMTZLMJ-QMMMGPOBSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds5

About (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine

(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine (PubChem CID 174329540) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine.

Molecular Properties

Compound Name(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine
PubChem CID174329540
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine
SMILESCC[C@H]1CCN1S(=O)(=O)CCOC
InChIInChI=1S/C8H17NO3S/c1-3-8-4-5-9(8)13(10,11)7-6-12-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHCDBFPCIMTZLMJ-QMMMGPOBSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-1-ethylsulfonylazetidine
CID 174287718
2-(chloromethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63396955
[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
CID 112622474
2-ethyl-1-methylsulfonylazetidine
CID 130668579
1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937263
4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
3-bromo-1-(2-methoxyethylsulfonyl)piperidine
CID 80675894
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
3-bromo-8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 80667828
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine?
The IUPAC name of (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine (CID 174329540) is (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine.
What is the SMILES notation for (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine?
The canonical SMILES for (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine is CC[C@H]1CCN1S(=O)(=O)CCOC.
What is the InChIKey of (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine?
The InChIKey is HCDBFPCIMTZLMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-8-4-5-9(8)13(10,11)7-6-12-2/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine?
(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine is sourced from PubChem (CID 174329540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).