2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine

C7H14F2N2O2S — CID 114384528

IUPAC2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
SMILESCC1CN(CC(F)(F)CN)S(=O)(=O)C1
InChIInChI=1S/C7H14F2N2O2S/c1-6-2-11(14(12,13)3-6)5-7(8,9)4-10/h6H,2-5,10H2,1H3
InChIKeyAFRINRKZKTXUPP-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.14
Rot. Bonds3

About 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine

2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine (PubChem CID 114384528) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
PubChem CID114384528
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine
SMILESCC1CN(CC(F)(F)CN)S(=O)(=O)C1
InChIInChI=1S/C7H14F2N2O2S/c1-6-2-11(14(12,13)3-6)5-7(8,9)4-10/h6H,2-5,10H2,1H3
InChIKeyAFRINRKZKTXUPP-UHFFFAOYSA-N
XLogP-0.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
(4,4-Difluoropyrrolidin-3-yl)methanesulfonamide
CID 177751501
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluorobutan-1-amine
CID 43753249
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 62061980
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 62887294

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine (CID 114384528) is 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine is CC1CN(CC(F)(F)CN)S(=O)(=O)C1.
What is the InChIKey of 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
The InChIKey is AFRINRKZKTXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-6-2-11(14(12,13)3-6)5-7(8,9)4-10/h6H,2-5,10H2,1H3.
What are the key properties of 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine?
2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine has a molecular weight of 228.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine is sourced from PubChem (CID 114384528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).