3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine

C9H19NO2S — CID 122414291

IUPAC3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine
SMILESCCS(=O)(=O)CC1CN(C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)7-9-5-10(6-9)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKWCYRCGGLKURLR-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds4

About 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine

3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine (PubChem CID 122414291) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine
PubChem CID122414291
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine
SMILESCCS(=O)(=O)CC1CN(C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)7-9-5-10(6-9)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKWCYRCGGLKURLR-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine (CID 122414291) is 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine is CCS(=O)(=O)CC1CN(C(C)C)C1.
What is the InChIKey of 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine?
The InChIKey is KWCYRCGGLKURLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-13(11,12)7-9-5-10(6-9)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine?
3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 122414291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).