3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine

C8H16F3N3O2S — CID 84810696

IUPAC3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C8H16F3N3O2S/c1-12-3-2-4-13-5-6-14(17(13,15)16)7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyGACSPRDXAJBKKW-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.02
Rot. Bonds5

About 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine

3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine (PubChem CID 84810696) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine
PubChem CID84810696
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C8H16F3N3O2S/c1-12-3-2-4-13-5-6-14(17(13,15)16)7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyGACSPRDXAJBKKW-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
CID 155056242
1,1,1-trifluoro-N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]methanesulfonamide
CID 169983348
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
N-ethyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010576
N-propyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010625
1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 60807175
N-methyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 60891953
1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 63301063
N-methyl-N-(3,3,3-trifluoropropyl)-1,4-diazepane-1-sulfonamide
CID 65538604
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 65772820
N-ethyl-N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65773963

Frequently Asked Questions

What is the IUPAC name of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine (CID 84810696) is 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine is CNCCCN1CCN(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine?
The InChIKey is GACSPRDXAJBKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-12-3-2-4-13-5-6-14(17(13,15)16)7-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine?
3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine has a molecular weight of 275.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84810696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).