(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride

C5H10FNO4S2 — CID 139019014

IUPAC(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
SMILESCN1C(CS(=O)(=O)F)CCS1(=O)=O
InChIInChI=1S/C5H10FNO4S2/c1-7-5(4-12(6,8)9)2-3-13(7,10)11/h5H,2-4H2,1H3
InChIKeyKJANUQWRMOOGOJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.68
Rot. Bonds2

About (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride

(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride (PubChem CID 139019014) has the molecular formula C5H10FNO4S2 and a molecular weight of 231.27 g/mol. Its IUPAC name is (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
PubChem CID139019014
Molecular FormulaC5H10FNO4S2
Molecular Weight231.27 g/mol
Exact Mass231.00
IUPAC Name(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
SMILESCN1C(CS(=O)(=O)F)CCS1(=O)=O
InChIInChI=1S/C5H10FNO4S2/c1-7-5(4-12(6,8)9)2-3-13(7,10)11/h5H,2-4H2,1H3
InChIKeyKJANUQWRMOOGOJ-UHFFFAOYSA-N
XLogP-0.68
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride (CID 139019014) is (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride is CN1C(CS(=O)(=O)F)CCS1(=O)=O.
What is the InChIKey of (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is KJANUQWRMOOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO4S2/c1-7-5(4-12(6,8)9)2-3-13(7,10)11/h5H,2-4H2,1H3.
What are the key properties of (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 231.27 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 139019014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).