1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol

C12H25N5O3S — CID 106993060

IUPAC1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCCCNCCn1nnnc1SCC(O)COCCOC
InChIInChI=1S/C12H25N5O3S/c1-3-4-13-5-6-17-12(14-15-16-17)21-10-11(18)9-20-8-7-19-2/h11,13,18H,3-10H2,1-2H3
InChIKeyKSOUFYNNOSYNQO-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.21
Rot. Bonds13

About 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol

1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 106993060) has the molecular formula C12H25N5O3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID106993060
Molecular FormulaC12H25N5O3S
Molecular Weight319.43 g/mol
Exact Mass319.17
IUPAC Name1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCCCNCCn1nnnc1SCC(O)COCCOC
InChIInChI=1S/C12H25N5O3S/c1-3-4-13-5-6-17-12(14-15-16-17)21-10-11(18)9-20-8-7-19-2/h11,13,18H,3-10H2,1-2H3
InChIKeyKSOUFYNNOSYNQO-UHFFFAOYSA-N
XLogP-0.21
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid
CID 106988381
1-butoxy-3-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 107264437
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
1-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993084
methyl 2-[5-(2-propoxyethylsulfanyl)tetrazol-1-yl]acetate
CID 106449589
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
1-butoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 107264068
1-(3-methoxyphenyl)-2-[1-[2-(methylamino)ethyl]tetrazol-5-yl]sulfanylethanol
CID 81135186
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795278

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol (CID 106993060) is 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol is CCCNCCn1nnnc1SCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is KSOUFYNNOSYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O3S/c1-3-4-13-5-6-17-12(14-15-16-17)21-10-11(18)9-20-8-7-19-2/h11,13,18H,3-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol?
1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 319.43 g/mol, XLogP of -0.21, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[1-[2-(propylamino)ethyl]tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 106993060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).