furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

C14H16N5OS+ — CID 7248517

IUPACfuran-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESc1ccc(-n2nnnc2SCC[NH2+]Cc2ccco2)cc1
InChIInChI=1S/C14H15N5OS/c1-2-5-12(6-3-1)19-14(16-17-18-19)21-10-8-15-11-13-7-4-9-20-13/h1-7,9,15H,8,10-11H2/p+1
InChIKeyLHSLAYQPXFBHRZ-UHFFFAOYSA-O
MW302.38 g/mol
LogP1.11
Rot. Bonds7

About furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 7248517) has the molecular formula C14H16N5OS+ and a molecular weight of 302.38 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID7248517
Molecular FormulaC14H16N5OS+
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Namefuran-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESc1ccc(-n2nnnc2SCC[NH2+]Cc2ccco2)cc1
InChIInChI=1S/C14H15N5OS/c1-2-5-12(6-3-1)19-14(16-17-18-19)21-10-8-15-11-13-7-4-9-20-13/h1-7,9,15H,8,10-11H2/p+1
InChIKeyLHSLAYQPXFBHRZ-UHFFFAOYSA-O
XLogP1.11
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248515
2-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 62495417
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 8638256
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 52548278
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
CID 60550847
5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
CID 124506400

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (CID 7248517) is furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is c1ccc(-n2nnnc2SCC[NH2+]Cc2ccco2)cc1.
What is the InChIKey of furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is LHSLAYQPXFBHRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N5OS/c1-2-5-12(6-3-1)19-14(16-17-18-19)21-10-8-15-11-13-7-4-9-20-13/h1-7,9,15H,8,10-11H2/p+1.
What are the key properties of furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 302.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 7248517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).