methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

C15H22N4O5S — CID 73134301

IUPACmethyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
SMILESCOC(=O)COC1COC2C1OCC2n1nnnc1SC1CCCC1
InChIInChI=1S/C15H22N4O5S/c1-21-12(20)8-22-11-7-24-13-10(6-23-14(11)13)19-15(16-17-18-19)25-9-4-2-3-5-9/h9-11,13-14H,2-8H2,1H3
InChIKeyLIWHVAQJEOWQNW-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.60
Rot. Bonds6

About methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate (PubChem CID 73134301) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
PubChem CID73134301
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Namemethyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
SMILESCOC(=O)COC1COC2C1OCC2n1nnnc1SC1CCCC1
InChIInChI=1S/C15H22N4O5S/c1-21-12(20)8-22-11-7-24-13-10(6-23-14(11)13)19-15(16-17-18-19)25-9-4-2-3-5-9/h9-11,13-14H,2-8H2,1H3
InChIKeyLIWHVAQJEOWQNW-UHFFFAOYSA-N
XLogP0.60
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate with MolForge

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Related Compounds

1-[(3S,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-cyclopentylsulfanyltetrazole
CID 11886044
[(3S,3aR,6R,6aS)-3-(5-pyrimidin-2-ylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 11886028
[(3S,3aR,6R,6aS)-3-(5-phenylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
CID 11886005
[(3S,3aS,6S,6aS)-3-(5-phenylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163078034
[3-[5-(4-phenylphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
CID 74700504
methyl 2-[[(3S,3aR,6R,6aS)-3-(2-ethylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
CID 11883252
N-[(3R,3aR,6S,6aS)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxyacetamide
CID 162916089
2-[[(3S,3aR,6R,6aS)-3-[(2-methoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 11883268
1-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-propan-2-yltetrazole
CID 11886100
2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
CID 82924457
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
[(3S,3aR,6R,6aS)-3-(5-pyrimidin-2-ylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-cyanophenyl)carbamate
CID 11886029

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The IUPAC name of methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate (CID 73134301) is methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate is COC(=O)COC1COC2C1OCC2n1nnnc1SC1CCCC1.
What is the InChIKey of methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The InChIKey is LIWHVAQJEOWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-21-12(20)8-22-11-7-24-13-10(6-23-14(11)13)19-15(16-17-18-19)25-9-4-2-3-5-9/h9-11,13-14H,2-8H2,1H3.
What are the key properties of methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate has a molecular weight of 370.43 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate is sourced from PubChem (CID 73134301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).