1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole

C11H22N4O4S — CID 103184249

IUPAC1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
SMILESCOCCCOCCSc1nnnn1CC(OC)OC
InChIInChI=1S/C11H22N4O4S/c1-16-5-4-6-19-7-8-20-11-12-13-14-15(11)9-10(17-2)18-3/h10H,4-9H2,1-3H3
InChIKeyZCDCTYWINVKCPI-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.44
Rot. Bonds12

About 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole

1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole (PubChem CID 103184249) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
PubChem CID103184249
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC Name1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
SMILESCOCCCOCCSc1nnnn1CC(OC)OC
InChIInChI=1S/C11H22N4O4S/c1-16-5-4-6-19-7-8-20-11-12-13-14-15(11)9-10(17-2)18-3/h10H,4-9H2,1-3H3
InChIKeyZCDCTYWINVKCPI-UHFFFAOYSA-N
XLogP0.44
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
1-(2,2-dimethoxyethyl)-5-(2-methylidenebutylsulfanyl)tetrazole
CID 66037128
1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine
CID 82888087
6-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanyl-2,2-dimethylhexanenitrile
CID 106714598
1-(2,2-dimethoxyethyl)-5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]tetrazole
CID 114531963
1-(2,2-dimethoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]tetrazole
CID 103015619
1-(2,2-dimethoxyethyl)-5-[(1-methyltriazol-4-yl)methylsulfanyl]tetrazole
CID 107054515
N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795278
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
[5-[2-(3-methoxypropoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 103180182
1-(2,2-dimethoxyethyl)-5-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]tetrazole
CID 66153085
2-[[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylmethyl]-3-methylpyridine
CID 115982457

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole?
The IUPAC name of 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole (CID 103184249) is 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole is COCCCOCCSc1nnnn1CC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole?
The InChIKey is ZCDCTYWINVKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-16-5-4-6-19-7-8-20-11-12-13-14-15(11)9-10(17-2)18-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole?
1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole has a molecular weight of 306.39 g/mol, XLogP of 0.44, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole is sourced from PubChem (CID 103184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).