[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride

C10H16FNO4S — CID 138006201

IUPAC[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
SMILESO=C(C1CCOCC1)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C10H16FNO4S/c11-17(14,15)7-8-5-12(6-8)10(13)9-1-3-16-4-2-9/h8-9H,1-7H2
InChIKeyGNNYBRPARKYAHC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.17
Rot. Bonds3

About [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride

[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride (PubChem CID 138006201) has the molecular formula C10H16FNO4S and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
PubChem CID138006201
Molecular FormulaC10H16FNO4S
Molecular Weight265.31 g/mol
Exact Mass265.08
IUPAC Name[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
SMILESO=C(C1CCOCC1)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C10H16FNO4S/c11-17(14,15)7-8-5-12(6-8)10(13)9-1-3-16-4-2-9/h8-9H,1-7H2
InChIKeyGNNYBRPARKYAHC-UHFFFAOYSA-N
XLogP0.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
CID 115026740
oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 121018948
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 171675875
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 72935082
cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone
CID 97348653
cyclopentyl-[3-(oxolan-3-ylmethoxy)azetidin-1-yl]methanone
CID 134160596

Frequently Asked Questions

What is the IUPAC name of [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride (CID 138006201) is [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride is O=C(C1CCOCC1)N1CC(CS(=O)(=O)F)C1.
What is the InChIKey of [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GNNYBRPARKYAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4S/c11-17(14,15)7-8-5-12(6-8)10(13)9-1-3-16-4-2-9/h8-9H,1-7H2.
What are the key properties of [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride?
[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride has a molecular weight of 265.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 138006201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).