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

C11H23N5O3S — CID 103086514

IUPACN-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O3S/c1-9(12-6-7-19-4)10-13-14-15-16(10)8-11(2,3)20(5,17)18/h9,12H,6-8H2,1-5H3
InChIKeyJEHMMEVUEUWFCM-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.21
Rot. Bonds8

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

N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine (PubChem CID 103086514) has the molecular formula C11H23N5O3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
PubChem CID103086514
Molecular FormulaC11H23N5O3S
Molecular Weight305.40 g/mol
Exact Mass305.15
IUPAC NameN-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N5O3S/c1-9(12-6-7-19-4)10-13-14-15-16(10)8-11(2,3)20(5,17)18/h9,12H,6-8H2,1-5H3
InChIKeyJEHMMEVUEUWFCM-UHFFFAOYSA-N
XLogP-0.21
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086515
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086270
N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
CID 103085887
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176
N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114102047
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine (CID 103086514) is N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1CC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine?
The InChIKey is JEHMMEVUEUWFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O3S/c1-9(12-6-7-19-4)10-13-14-15-16(10)8-11(2,3)20(5,17)18/h9,12H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine has a molecular weight of 305.40 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).