[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C9H11FN2O3S2 — CID 168676693

IUPAC[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cscn1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(2-7)3-8-4-16-6-11-8/h4,6-7H,1-3,5H2
InChIKeyDLKJDADHMPNUJT-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.79
Rot. Bonds4

About [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676693) has the molecular formula C9H11FN2O3S2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676693
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cscn1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(2-7)3-8-4-16-6-11-8/h4,6-7H,1-3,5H2
InChIKeyDLKJDADHMPNUJT-UHFFFAOYSA-N
XLogP0.79
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
[1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675423
[1-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675804
4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
CID 63824639
[1-[(5-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675930
[1-[(2-chloro-5-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676567
[5-oxo-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676592
[1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676614
[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676551
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676693) is [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1Cc1cscn1.
What is the InChIKey of [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is DLKJDADHMPNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(2-7)3-8-4-16-6-11-8/h4,6-7H,1-3,5H2.
What are the key properties of [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).