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

C10H21N5O2S — CID 113382999

IUPACN-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCOCCNCCn1nnnc1SCC(C)OC
InChIInChI=1S/C10H21N5O2S/c1-9(17-3)8-18-10-12-13-14-15(10)6-4-11-5-7-16-2/h9,11H,4-8H2,1-3H3
InChIKeyLLJWHZPRWABVMM-UHFFFAOYSA-N
MW275.38 g/mol
LogP0.04
Rot. Bonds10

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

N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine (PubChem CID 113382999) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
PubChem CID113382999
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC NameN-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCOCCNCCn1nnnc1SCC(C)OC
InChIInChI=1S/C10H21N5O2S/c1-9(17-3)8-18-10-12-13-14-15(10)6-4-11-5-7-16-2/h9,11H,4-8H2,1-3H3
InChIKeyLLJWHZPRWABVMM-UHFFFAOYSA-N
XLogP0.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 50.04
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

1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 106993060
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
N-(2-methoxyethyl)-2-[5-[(5-methyl-3-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 102879327
1-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993084
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)propan-1-amine
CID 63515327
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine (CID 113382999) is N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine is COCCNCCn1nnnc1SCC(C)OC.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine?
The InChIKey is LLJWHZPRWABVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-9(17-3)8-18-10-12-13-14-15(10)6-4-11-5-7-16-2/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine has a molecular weight of 275.38 g/mol, XLogP of 0.04, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 113382999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).