1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine

C7H15N5O2S — CID 103086342

IUPAC1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1C(C)CS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S/c1-5(4-15(3,13)14)12-7(6(2)8)9-10-11-12/h5-6H,4,8H2,1-3H3
InChIKeyWGGXYWRAOGSYAP-UHFFFAOYSA-N
MW233.30 g/mol
LogP-0.70
Rot. Bonds4

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

1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine (PubChem CID 103086342) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine
PubChem CID103086342
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1C(C)CS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S/c1-5(4-15(3,13)14)12-7(6(2)8)9-10-11-12/h5-6H,4,8H2,1-3H3
InChIKeyWGGXYWRAOGSYAP-UHFFFAOYSA-N
XLogP-0.70
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine (CID 103086342) is 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1C(C)CS(C)(=O)=O.
What is the InChIKey of 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine?
The InChIKey is WGGXYWRAOGSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-5(4-15(3,13)14)12-7(6(2)8)9-10-11-12/h5-6H,4,8H2,1-3H3.
What are the key properties of 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine?
1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine has a molecular weight of 233.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).