N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine

C11H23N5OS — CID 106458184

IUPACN-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SCCOCC(C)C
InChIInChI=1S/C11H23N5OS/c1-4-12-5-6-16-11(13-14-15-16)18-8-7-17-9-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyHWNRGPGVHAKWMM-UHFFFAOYSA-N
MW273.41 g/mol
LogP1.05
Rot. Bonds10

About N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine

N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 106458184) has the molecular formula C11H23N5OS and a molecular weight of 273.41 g/mol. Its IUPAC name is N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID106458184
Molecular FormulaC11H23N5OS
Molecular Weight273.41 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SCCOCC(C)C
InChIInChI=1S/C11H23N5OS/c1-4-12-5-6-16-11(13-14-15-16)18-8-7-17-9-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyHWNRGPGVHAKWMM-UHFFFAOYSA-N
XLogP1.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 106993060
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 113474390
1-butoxy-3-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 107264437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine (CID 106458184) is N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine is CCNCCn1nnnc1SCCOCC(C)C.
What is the InChIKey of N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is HWNRGPGVHAKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5OS/c1-4-12-5-6-16-11(13-14-15-16)18-8-7-17-9-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 1.05, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 106458184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).