[(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

C14H17N7O4S — CID 11886028

IUPAC[(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
SMILESCCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Sc1ncccn1
InChIInChI=1S/C14H17N7O4S/c1-2-15-14(22)25-9-7-24-10-8(6-23-11(9)10)21-13(18-19-20-21)26-12-16-4-3-5-17-12/h3-5,8-11H,2,6-7H2,1H3,(H,15,22)/t8-,9+,10+,11+/m0/s1
InChIKeyPSBVYGXVVYMRON-LNFKQOIKSA-N
MW379.40 g/mol
LogP0.07
Rot. Bonds5

About [(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

[(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 (PubChem CID 11886028) has the molecular formula C14H17N7O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11886028
Molecular FormulaC14H17N7O4S
Molecular Weight379.40 g/mol
Exact Mass379.11
IUPAC Name[(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
SMILESCCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Sc1ncccn1
InChIInChI=1S/C14H17N7O4S/c1-2-15-14(22)25-9-7-24-10-8(6-23-11(9)10)21-13(18-19-20-21)26-12-16-4-3-5-17-12/h3-5,8-11H,2,6-7H2,1H3,(H,15,22)/t8-,9+,10+,11+/m0/s1
InChIKeyPSBVYGXVVYMRON-LNFKQOIKSA-N
XLogP0.07
TPSA126.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(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
[(3R,3aR,6R,6aR)-3-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-benzylcarbamate
CID 162809089
[(3R,3aR,6R,6aR)-3-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-phenylcarbamate
CID 163169989
[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-[[3-(5-cyclopentylsulfanyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
CID 73134301
[(3S,3aR,6R,6aS)-3-[5-(4-phenylphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-phenylcarbamate
CID 11886067
[(3S,3aS,6S,6aS)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 162986917
ethyl 3-[[(3S,3aR,6R,6aS)-3-[5-(4-phenylphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonylamino]benzoate
CID 11886071
[3-(5-prop-2-enyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 73134361
methyl 3-[[(3S,3aR,6R,6aS)-6-(ethylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoate
CID 11885943

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Sc1ncccn1.
What is the InChIKey of [(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?
The InChIKey is PSBVYGXVVYMRON-LNFKQOIKSA-N. The full InChI is InChI=1S/C14H17N7O4S/c1-2-15-14(22)25-9-7-24-10-8(6-23-11(9)10)21-13(18-19-20-21)26-12-16-4-3-5-17-12/h3-5,8-11H,2,6-7H2,1H3,(H,15,22)/t8-,9+,10+,11+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 379.40 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11886028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).