3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine

C6H12F2N2O2S — CID 114384583

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CN1CCCS1(=O)=O
InChIInChI=1S/C6H12F2N2O2S/c7-6(8,4-9)5-10-2-1-3-13(10,11)12/h1-5,9H2
InChIKeyPAYADJQLIKJJJA-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.38
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine (PubChem CID 114384583) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine
PubChem CID114384583
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CN1CCCS1(=O)=O
InChIInChI=1S/C6H12F2N2O2S/c7-6(8,4-9)5-10-2-1-3-13(10,11)12/h1-5,9H2
InChIKeyPAYADJQLIKJJJA-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Aminopropyl)-1lambda6,2-thiazolidine-1,1-dione
CID 43619976
2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanesulfonamide
CID 137956257
1-(3,3,3-Trifluoropropylsulfonyl)pyrrolidine
CID 90460183
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylethanamine
CID 131187813
2-(1-propylpyrrolidin-1-ium-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 157045997
2-(1-ethylpyrrolidin-1-ium-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 157046006
2-(1-methylpyrrolidin-1-ium-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 169983303
2,4-Difluoropyrrolidine-3-sulfonamide
CID 175428758
(4,4-Difluoropyrrolidin-3-yl)methanesulfonamide
CID 177751501
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43752842
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine
CID 43753249
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 61604327

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine (CID 114384583) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine is NCC(F)(F)CN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine?
The InChIKey is PAYADJQLIKJJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8,4-9)5-10-2-1-3-13(10,11)12/h1-5,9H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine has a molecular weight of 214.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 114384583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).