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

C8H17N5O2S — CID 64644246

IUPACN-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)CS(C)(=O)=O
InChIInChI=1S/C8H17N5O2S/c1-4-9-5-8-10-11-12-13(8)7(2)6-16(3,14)15/h7,9H,4-6H2,1-3H3
InChIKeyVZOBNWNWJZQGAK-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.61
Rot. Bonds6

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

N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 64644246) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID64644246
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC NameN-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)CS(C)(=O)=O
InChIInChI=1S/C8H17N5O2S/c1-4-9-5-8-10-11-12-13(8)7(2)6-16(3,14)15/h7,9H,4-6H2,1-3H3
InChIKeyVZOBNWNWJZQGAK-UHFFFAOYSA-N
XLogP-0.61
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (CID 64644246) is N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)CS(C)(=O)=O.
What is the InChIKey of N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is VZOBNWNWJZQGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-4-9-5-8-10-11-12-13(8)7(2)6-16(3,14)15/h7,9H,4-6H2,1-3H3.
What are the key properties of N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 64644246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).