3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one

C11H21NO4S — CID 90594209

IUPAC3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)8-17(14,15)10-6-12(7-10)11(13)4-5-16-3/h9-10H,4-8H2,1-3H3
InChIKeyNYHKZCUCFJHEQB-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.30
Rot. Bonds6

About 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one

3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one (PubChem CID 90594209) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
PubChem CID90594209
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)8-17(14,15)10-6-12(7-10)11(13)4-5-16-3/h9-10H,4-8H2,1-3H3
InChIKeyNYHKZCUCFJHEQB-UHFFFAOYSA-N
XLogP0.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]ethanone
CID 90594084
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
2,2-dimethyl-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 72718937
3-(2,6-dichlorophenyl)-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 90594180
1-[2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 134071375
3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121164595
(3-methoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594100
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
(2-methylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72718948
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
1-cyclohexylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594323
(E)-3-(4-chlorophenyl)-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594222

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one (CID 90594209) is 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one is COCCC(=O)N1CC(S(=O)(=O)CC(C)C)C1.
What is the InChIKey of 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one?
The InChIKey is NYHKZCUCFJHEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)8-17(14,15)10-6-12(7-10)11(13)4-5-16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one?
3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one has a molecular weight of 263.36 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 90594209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).