1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine

C10H13N5O2S — CID 103084958

IUPAC1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H13N5O2S/c1-7(11)10-12-13-14-15(10)8-3-5-9(6-4-8)18(2,16)17/h3-7H,11H2,1-2H3
InChIKeyQNCLCZWYYPPUOZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.09
Rot. Bonds3

About 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine

1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084958) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103084958
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H13N5O2S/c1-7(11)10-12-13-14-15(10)8-3-5-9(6-4-8)18(2,16)17/h3-7H,11H2,1-2H3
InChIKeyQNCLCZWYYPPUOZ-UHFFFAOYSA-N
XLogP0.09
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine (CID 103084958) is 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is QNCLCZWYYPPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-7(11)10-12-13-14-15(10)8-3-5-9(6-4-8)18(2,16)17/h3-7H,11H2,1-2H3.
What are the key properties of 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine?
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 267.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).