2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C15H23FN2O2S — CID 114831150

IUPAC2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c1-15(11-17,9-12-5-3-4-6-14(12)16)18(2)13-7-8-21(19,20)10-13/h3-6,13H,7-11,17H2,1-2H3
InChIKeyJMWZGGGETWZGFY-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.20
Rot. Bonds5

About 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 114831150) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID114831150
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(C1CCS(=O)(=O)C1)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c1-15(11-17,9-12-5-3-4-6-14(12)16)18(2)13-7-8-21(19,20)10-13/h3-6,13H,7-11,17H2,1-2H3
InChIKeyJMWZGGGETWZGFY-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107113173
N-[2-(2-aminoethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63783247
N-[(3-amino-2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107347272
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 114831398
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 129420010
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900078
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
N'-(1,1-dioxothiolan-3-yl)-N-[2-(2-fluorophenyl)ethyl]-N'-methyloxamide
CID 108985174
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637
3-N-(1,1-dioxothiolan-3-yl)-5-N-[(2-fluorophenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949556
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113056066

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 114831150) is 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(C1CCS(=O)(=O)C1)C(C)(CN)Cc1ccccc1F.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is JMWZGGGETWZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-15(11-17,9-12-5-3-4-6-14(12)16)18(2)13-7-8-21(19,20)10-13/h3-6,13H,7-11,17H2,1-2H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 1.20, 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)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114831150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).