N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine

C7H15N5O2S — CID 62735379

IUPACN-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S/c1-3-8-6-7-9-10-11-12(7)4-5-15(2,13)14/h8H,3-6H2,1-2H3
InChIKeyNPPMWNRIJVMIHW-UHFFFAOYSA-N
MW233.30 g/mol
LogP-1.17
Rot. Bonds6

About N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62735379) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62735379
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC NameN-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C7H15N5O2S/c1-3-8-6-7-9-10-11-12(7)4-5-15(2,13)14/h8H,3-6H2,1-2H3
InChIKeyNPPMWNRIJVMIHW-UHFFFAOYSA-N
XLogP-1.17
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine (CID 62735379) is N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CCS(C)(=O)=O.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is NPPMWNRIJVMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-3-8-6-7-9-10-11-12(7)4-5-15(2,13)14/h8H,3-6H2,1-2H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 233.30 g/mol, XLogP of -1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62735379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).