thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium

C12H18N2S2+2 — CID 7037099

IUPACthiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium
SMILESc1csc(C[NH2+]CC[NH2+]Cc2cccs2)c1
InChIInChI=1S/C12H16N2S2/c1-3-11(15-7-1)9-13-5-6-14-10-12-4-2-8-16-12/h1-4,7-8,13-14H,5-6,9-10H2/p+2
InChIKeyHNSKBPMULGFUHS-UHFFFAOYSA-P
MW254.42 g/mol
LogP0.64
Rot. Bonds7

About thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium

thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium (PubChem CID 7037099) has the molecular formula C12H18N2S2+2 and a molecular weight of 254.42 g/mol. Its IUPAC name is thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Namethiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium
PubChem CID7037099
Molecular FormulaC12H18N2S2+2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Namethiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium
SMILESc1csc(C[NH2+]CC[NH2+]Cc2cccs2)c1
InChIInChI=1S/C12H16N2S2/c1-3-11(15-7-1)9-13-5-6-14-10-12-4-2-8-16-12/h1-4,7-8,13-14H,5-6,9-10H2/p+2
InChIKeyHNSKBPMULGFUHS-UHFFFAOYSA-P
XLogP0.64
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Bis((thiophen-2-yl)methyl)amine
CID 252453
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
1-(Thien-2-ylmethyl)piperazine
CID 566208
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
Di-2-thenylamine hydrochloride
CID 24212013
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium?
The IUPAC name of thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium (CID 7037099) is thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium.
What is the SMILES notation for thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium?
The canonical SMILES for thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium is c1csc(C[NH2+]CC[NH2+]Cc2cccs2)c1.
What is the InChIKey of thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium?
The InChIKey is HNSKBPMULGFUHS-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H16N2S2/c1-3-11(15-7-1)9-13-5-6-14-10-12-4-2-8-16-12/h1-4,7-8,13-14H,5-6,9-10H2/p+2.
What are the key properties of thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium?
thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium has a molecular weight of 254.42 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl-[2-(thiophen-2-ylmethylazaniumyl)ethyl]azanium is sourced from PubChem (CID 7037099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).