2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H19F3N2O2S — CID 62569176

IUPAC2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19F3N2O2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-18(16,17)6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyLDRDTYODUNORDB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.65
Rot. Bonds5

About 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569176) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569176
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19F3N2O2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-18(16,17)6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyLDRDTYODUNORDB-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-({2-[Bis(propan-2-yl)amino]ethyl}amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247645
N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine hydrochloride
CID 6603363
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
3-((2-(Dimethylamino)ethyl)amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247849
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diisopropylethane-1,2-Diamine Hydrochloride
CID 43810439
3-((2-(Diethylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide dihydrochloride
CID 132327488
N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 649823
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
3-((3-(Dimethylamino)propyl)amino)tetrahydrothiophene 1,1-dioxide
CID 3131597
N-methyl-N-[2-(tetrahydro-3-thienylamino)ethyl]methanesulfonamide
CID 50982023
N-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]butan-2-amine
CID 149910915

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569176) is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is LDRDTYODUNORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-18(16,17)6-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 288.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).