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

C7H13F3N2O2S — CID 103366549

IUPAC2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(4-11)5-12-2-1-3-15(12,13)14/h6H,1-5,11H2
InChIKeyWGXNQZSRJQSJIQ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.16
Rot. Bonds3

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

2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366549) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366549
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(4-11)5-12-2-1-3-15(12,13)14/h6H,1-5,11H2
InChIKeyWGXNQZSRJQSJIQ-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Aminopropyl)-1lambda6,2-thiazolidine-1,1-dione
CID 43619976
rac-(3R,4R)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 100756960
4-(Trifluoromethyl)pyrrolidine-3-sulfonic acid diethylamide
CID 129876827
N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
CID 99922163
2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanesulfonamide
CID 137956257
(3S)-3beta-(Trifluoromethylsulfonylaminomethyl)pyrrolidine
CID 58880450
1,1,1-trifluoro-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 69436476
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylethanamine
CID 131187813
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366549) is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine is NCC(CN1CCCS1(=O)=O)C(F)(F)F.
What is the InChIKey of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is WGXNQZSRJQSJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)6(4-11)5-12-2-1-3-15(12,13)14/h6H,1-5,11H2.
What are the key properties of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 246.25 g/mol, XLogP of 0.16, 3 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)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).