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

C5H11N5O2S — CID 62473100

IUPAC2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine
SMILESCS(=O)(=O)Cc1nnnn1CCN
InChIInChI=1S/C5H11N5O2S/c1-13(11,12)4-5-7-8-9-10(5)3-2-6/h2-4,6H2,1H3
InChIKeyWDPPTDGSDOEQFV-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.82
Rot. Bonds4

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

2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine (PubChem CID 62473100) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine
PubChem CID62473100
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine
SMILESCS(=O)(=O)Cc1nnnn1CCN
InChIInChI=1S/C5H11N5O2S/c1-13(11,12)4-5-7-8-9-10(5)3-2-6/h2-4,6H2,1H3
InChIKeyWDPPTDGSDOEQFV-UHFFFAOYSA-N
XLogP-1.82
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine (CID 62473100) is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine is CS(=O)(=O)Cc1nnnn1CCN.
What is the InChIKey of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine?
The InChIKey is WDPPTDGSDOEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-13(11,12)4-5-7-8-9-10(5)3-2-6/h2-4,6H2,1H3.
What are the key properties of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine?
2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine has a molecular weight of 205.24 g/mol, XLogP of -1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 62473100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).