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

C6H11F3N2O2S — CID 43752842

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5(4-10)11-2-1-3-14(11,12)13/h5H,1-4,10H2
InChIKeySWCDKHUMCYTKEY-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.09
Rot. Bonds2

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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752842) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID43752842
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5(4-10)11-2-1-3-14(11,12)13/h5H,1-4,10H2
InChIKeySWCDKHUMCYTKEY-UHFFFAOYSA-N
XLogP-0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Aminoethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 47002542
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
4-Amino-2-methyl-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 165806793
2-[(2S)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 170914813
2-[(2R)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 177801350
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
CID 24796609
2-(1,1-Dioxo-isothiazolidin-2-yl)-ethylamine
CID 43619975
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
1-Trifluoromethanesulfonylpyrrolidin-3-amine
CID 62069219
(R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340385

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine (CID 43752842) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCCS1(=O)=O)C(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is SWCDKHUMCYTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)5(4-10)11-2-1-3-14(11,12)13/h5H,1-4,10H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 232.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).