3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine

C7H13F3N2O2S — CID 43753249

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-11)12-4-1-5-15(12,13)14/h6H,1-5,11H2
InChIKeyMASLYERGGKYYFZ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.30
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753249) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID43753249
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-11)12-4-1-5-15(12,13)14/h6H,1-5,11H2
InChIKeyMASLYERGGKYYFZ-UHFFFAOYSA-N
XLogP0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
CID 24796609
2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanesulfonamide
CID 137956257
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
1-Trifluoromethanesulfonylpyrrolidin-3-amine
CID 62069219
1-(Difluoromethyl)-3-methylpyrazolidine-4-sulfonamide
CID 90088473
(R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340385
(S)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340386
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylethanamine
CID 131187813
(4,4-Difluoropyrrolidin-2-yl)methanesulfonyl fluoride
CID 165870714
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine (CID 43753249) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine is NCCC(N1CCCS1(=O)=O)C(F)(F)F.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is MASLYERGGKYYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-11)12-4-1-5-15(12,13)14/h6H,1-5,11H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 246.25 g/mol, XLogP of 0.30, 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)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).