1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine

C12H24N6O2S — CID 82888087

IUPAC1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine
SMILESCOC(Cn1nnnc1SCCN1CCN(C)CC1)OC
InChIInChI=1S/C12H24N6O2S/c1-16-4-6-17(7-5-16)8-9-21-12-13-14-15-18(12)10-11(19-2)20-3/h11H,4-10H2,1-3H3
InChIKeyIQKMAGYESVREBD-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.37
Rot. Bonds8

About 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine

1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine (PubChem CID 82888087) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine
PubChem CID82888087
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC Name1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine
SMILESCOC(Cn1nnnc1SCCN1CCN(C)CC1)OC
InChIInChI=1S/C12H24N6O2S/c1-16-4-6-17(7-5-16)8-9-21-12-13-14-15-18(12)10-11(19-2)20-3/h11H,4-10H2,1-3H3
InChIKeyIQKMAGYESVREBD-UHFFFAOYSA-N
XLogP-0.37
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethoxyethyl)-5-(2-methylidenebutylsulfanyl)tetrazole
CID 66037128
1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
CID 103184249
1-(2,2-dimethoxyethyl)-5-[(1-methyltriazol-4-yl)methylsulfanyl]tetrazole
CID 107054515
1-(2,2-dimethoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]tetrazole
CID 103015619
1-(2,2-dimethoxyethyl)-5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]tetrazole
CID 114531963
6-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanyl-2,2-dimethylhexanenitrile
CID 106714598
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
1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine
CID 56810244
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
CID 82891573
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
2-[2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]isoindole-1,3-dione
CID 36794835

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine (CID 82888087) is 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine is COC(Cn1nnnc1SCCN1CCN(C)CC1)OC.
What is the InChIKey of 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine?
The InChIKey is IQKMAGYESVREBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-16-4-6-17(7-5-16)8-9-21-12-13-14-15-18(12)10-11(19-2)20-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine?
1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine has a molecular weight of 316.43 g/mol, XLogP of -0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylethyl]-4-methylpiperazine is sourced from PubChem (CID 82888087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).