(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate

C8H15NO4S — CID 134994092

IUPAC(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate
SMILESCCC1(OC(C)=O)CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO4S/c1-4-8(13-7(2)10)5-9(6-8)14(3,11)12/h4-6H2,1-3H3
InChIKeyRGLHVZGDNDNIPQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.03
Rot. Bonds3

About (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate

(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate (PubChem CID 134994092) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate.

Molecular Properties

Compound Name(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate
PubChem CID134994092
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate
SMILESCCC1(OC(C)=O)CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO4S/c1-4-8(13-7(2)10)5-9(6-8)14(3,11)12/h4-6H2,1-3H3
InChIKeyRGLHVZGDNDNIPQ-UHFFFAOYSA-N
XLogP-0.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2-oxooxan-4-yl) acetate
CID 89198151
tert-butyl 3-ethyl-3-methylsulfonyloxyazetidine-1-carboxylate
CID 156653276
(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate
CID 20736113
(1-ethyl-4-oxocyclohexyl) 2-methylprop-2-enoate
CID 88988887
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
CID 58844030
ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 163233842
ethyl (3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxylate
CID 124626361
(1-ethylcyclopropyl) cyanoformate
CID 57080704
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate?
The IUPAC name of (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate (CID 134994092) is (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate.
What is the SMILES notation for (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate?
The canonical SMILES for (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate is CCC1(OC(C)=O)CN(S(C)(=O)=O)C1.
What is the InChIKey of (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate?
The InChIKey is RGLHVZGDNDNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-4-8(13-7(2)10)5-9(6-8)14(3,11)12/h4-6H2,1-3H3.
What are the key properties of (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate?
(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate has a molecular weight of 221.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylsulfonylazetidin-3-yl) acetate is sourced from PubChem (CID 134994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).