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

C6H12FNO4S2 — CID 165492568

IUPAC(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
SMILESCCN1C(CS(=O)(=O)F)CCS1(=O)=O
InChIInChI=1S/C6H12FNO4S2/c1-2-8-6(5-13(7,9)10)3-4-14(8,11)12/h6H,2-5H2,1H3
InChIKeyGFODZRKNICDABJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.29
Rot. Bonds3

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

(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride (PubChem CID 165492568) has the molecular formula C6H12FNO4S2 and a molecular weight of 245.30 g/mol. Its IUPAC name is (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
PubChem CID165492568
Molecular FormulaC6H12FNO4S2
Molecular Weight245.30 g/mol
Exact Mass245.02
IUPAC Name(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
SMILESCCN1C(CS(=O)(=O)F)CCS1(=O)=O
InChIInChI=1S/C6H12FNO4S2/c1-2-8-6(5-13(7,9)10)3-4-14(8,11)12/h6H,2-5H2,1H3
InChIKeyGFODZRKNICDABJ-UHFFFAOYSA-N
XLogP-0.29
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methanesulfonylpyrrolidin-3-yl)methanesulfonylfluoride
CID 137949149
(2-Methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride
CID 139019014
1-(Propan-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 165869662
3-(1,1-Dioxido-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride
CID 91714772
2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528
2-Propyl-1,2-thiazolidine 1,1-dioxide
CID 10820899
2-Ethylisothiazolidine 1,1-dioxide
CID 10844546
2,3-Dimethyl-1,2-thiazolidine 1,1-dioxide
CID 14067924
CID 59960579
CID 59960579
5-Methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67806596
4-Methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807365
3-Methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807904

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride (CID 165492568) is (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride is CCN1C(CS(=O)(=O)F)CCS1(=O)=O.
What is the InChIKey of (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is GFODZRKNICDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO4S2/c1-2-8-6(5-13(7,9)10)3-4-14(8,11)12/h6H,2-5H2,1H3.
What are the key properties of (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride?
(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 245.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165492568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).