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

C9H17F3N2O2S — CID 62559921

IUPACN-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCS(=O)(=O)C1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)4-3-13-8-2-5-17(15,16)6-8/h8,13H,2-7H2,1H3
InChIKeyNEVWMQZTBXFGCS-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.26
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62559921) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62559921
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCS(=O)(=O)C1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)4-3-13-8-2-5-17(15,16)6-8/h8,13H,2-7H2,1H3
InChIKeyNEVWMQZTBXFGCS-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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 N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62559921) is N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNC1CCS(=O)(=O)C1)CC(F)(F)F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is NEVWMQZTBXFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)4-3-13-8-2-5-17(15,16)6-8/h8,13H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 274.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62559921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).