2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine

C11H15N5S — CID 66097605

IUPAC2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
SMILESCc1ccccc1SCc1nnnn1CCN
InChIInChI=1S/C11H15N5S/c1-9-4-2-3-5-10(9)17-8-11-13-14-15-16(11)7-6-12/h2-5H,6-8,12H2,1H3
InChIKeyDVACEQRTEXYAPA-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.23
Rot. Bonds5

About 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine

2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine (PubChem CID 66097605) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
PubChem CID66097605
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
SMILESCc1ccccc1SCc1nnnn1CCN
InChIInChI=1S/C11H15N5S/c1-9-4-2-3-5-10(9)17-8-11-13-14-15-16(11)7-6-12/h2-5H,6-8,12H2,1H3
InChIKeyDVACEQRTEXYAPA-UHFFFAOYSA-N
XLogP1.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine (CID 66097605) is 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine is Cc1ccccc1SCc1nnnn1CCN.
What is the InChIKey of 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The InChIKey is DVACEQRTEXYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-9-4-2-3-5-10(9)17-8-11-13-14-15-16(11)7-6-12/h2-5H,6-8,12H2,1H3.
What are the key properties of 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 66097605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).