3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine

C10H21NO2S — CID 67965074

IUPAC3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine
SMILESCCC1(C(C)C)CN(S(=O)(=O)CC)C1
InChIInChI=1S/C10H21NO2S/c1-5-10(9(3)4)7-11(8-10)14(12,13)6-2/h9H,5-8H2,1-4H3
InChIKeyNVVRUDMNLNNLHU-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds4

About 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine

3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine (PubChem CID 67965074) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine
PubChem CID67965074
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine
SMILESCCC1(C(C)C)CN(S(=O)(=O)CC)C1
InChIInChI=1S/C10H21NO2S/c1-5-10(9(3)4)7-11(8-10)14(12,13)6-2/h9H,5-8H2,1-4H3
InChIKeyNVVRUDMNLNNLHU-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine?
The IUPAC name of 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine (CID 67965074) is 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine.
What is the SMILES notation for 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine?
The canonical SMILES for 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine is CCC1(C(C)C)CN(S(=O)(=O)CC)C1.
What is the InChIKey of 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine?
The InChIKey is NVVRUDMNLNNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-10(9(3)4)7-11(8-10)14(12,13)6-2/h9H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine?
3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine is sourced from PubChem (CID 67965074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).