benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine

C20H32N2OS — CID 145028972

IUPACbenzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCC.CNC(C)CN(C)C.O=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS.C6H16N2.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(7-2)5-8(3)4;1-2/h1-10H;6-7H,5H2,1-4H3;1-2H3
InChIKeyVPSVBOLRQKZLHE-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.04
Rot. Bonds5

About benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine

benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 145028972) has the molecular formula C20H32N2OS and a molecular weight of 348.56 g/mol. Its IUPAC name is benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Namebenzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID145028972
Molecular FormulaC20H32N2OS
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC Namebenzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCC.CNC(C)CN(C)C.O=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS.C6H16N2.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(7-2)5-8(3)4;1-2/h1-10H;6-7H,5H2,1-4H3;1-2H3
InChIKeyVPSVBOLRQKZLHE-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-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

Frequently Asked Questions

What is the IUPAC name of benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 145028972) is benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine is CC.CNC(C)CN(C)C.O=S(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is VPSVBOLRQKZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS.C6H16N2.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(7-2)5-8(3)4;1-2/h1-10H;6-7H,5H2,1-4H3;1-2H3.
What are the key properties of benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine?
benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 348.56 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylbenzene;ethane;1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 145028972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).