2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine

C11H15N5OS — CID 55015724

IUPAC2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCOc1ccc(C(CN)Sc2nnnn2C)cc1
InChIInChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-10(7-12)8-3-5-9(17-2)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyVXIJMWPGYGHAEC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.01
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine

2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine (PubChem CID 55015724) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
PubChem CID55015724
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCOc1ccc(C(CN)Sc2nnnn2C)cc1
InChIInChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-10(7-12)8-3-5-9(17-2)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyVXIJMWPGYGHAEC-UHFFFAOYSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CID 55015724) is 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine is COc1ccc(C(CN)Sc2nnnn2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The InChIKey is VXIJMWPGYGHAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-10(7-12)8-3-5-9(17-2)6-4-8/h3-6,10H,7,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine has a molecular weight of 265.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 55015724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).