1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine

C15H23BrN2O2S — CID 62619786

IUPAC1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCS(=O)(=O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-21(19,20)11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeySSGYZTBTFUCLRC-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine

1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62619786) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID62619786
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCS(=O)(=O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-21(19,20)11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeySSGYZTBTFUCLRC-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-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

1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614
N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62628744
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
N-[1-(3-bromophenyl)propyl]-1,1-dioxothian-3-amine
CID 63922699
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
2-(3-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113098206
3-(3-bromophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylthiourea
CID 9234091

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine (CID 62619786) is 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)C1CCS(=O)(=O)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is SSGYZTBTFUCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-21(19,20)11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 375.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62619786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).