N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine

C24H24N2S2 — CID 134942783

IUPACN,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESc1ccc(CNC(c2cccs2)C(NCc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C24H24N2S2/c1-3-9-19(10-4-1)17-25-23(21-13-7-15-27-21)24(22-14-8-16-28-22)26-18-20-11-5-2-6-12-20/h1-16,23-26H,17-18H2
InChIKeyYNRREZJSPYRBBS-UHFFFAOYSA-N
MW404.60 g/mol
LogP6.17
Rot. Bonds9

About N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine

N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine (PubChem CID 134942783) has the molecular formula C24H24N2S2 and a molecular weight of 404.60 g/mol. Its IUPAC name is N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine
PubChem CID134942783
Molecular FormulaC24H24N2S2
Molecular Weight404.60 g/mol
Exact Mass404.14
IUPAC NameN,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESc1ccc(CNC(c2cccs2)C(NCc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C24H24N2S2/c1-3-9-19(10-4-1)17-25-23(21-13-7-15-27-21)24(22-14-8-16-28-22)26-18-20-11-5-2-6-12-20/h1-16,23-26H,17-18H2
InChIKeyYNRREZJSPYRBBS-UHFFFAOYSA-N
XLogP6.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
Ethan-1,2-diamine, N-[1-(2-thionaphthenyl)cyclohexyl]-N'-methyl-
CID 611997
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine
CID 398353
Allyl-(1-benzo[b]thiophen-2-yl-cyclohexyl)-amine
CID 10423342
N-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-N''-methyl-butane-1,4-diamine
CID 11723323
N*1*-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-ethane-1,2-diamine
CID 11778118
1-(1-(4-Benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-3-phenethylthiourea
CID 12005953
N-benzyl-8-[5-[4-(benzylamino)butyl]thiophen-2-yl]octan-1-amine
CID 44424647
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
1-[1-(1-benzothiophen-3-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propyl]piperazine
CID 118714015

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine (CID 134942783) is N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine is c1ccc(CNC(c2cccs2)C(NCc2ccccc2)c2cccs2)cc1.
What is the InChIKey of N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The InChIKey is YNRREZJSPYRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S2/c1-3-9-19(10-4-1)17-25-23(21-13-7-15-27-21)24(22-14-8-16-28-22)26-18-20-11-5-2-6-12-20/h1-16,23-26H,17-18H2.
What are the key properties of N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine?
N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine has a molecular weight of 404.60 g/mol, XLogP of 6.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-1,2-dithiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 134942783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).