[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate

C17H24N2O7S — CID 11884081

IUPAC[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
SMILESCCCS(=O)(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O7S/c1-3-8-27(21,22)19-13-9-24-16-14(10-25-15(13)16)26-17(20)18-11-4-6-12(23-2)7-5-11/h4-7,13-16,19H,3,8-10H2,1-2H3,(H,18,20)/t13-,14+,15+,16+/m0/s1
InChIKeyUZMUQMPKEJLOOU-ZJIFWQFVSA-N
MW400.45 g/mol
LogP1.11
Rot. Bonds7

About [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate

[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate (PubChem CID 11884081) has the molecular formula C17H24N2O7S and a molecular weight of 400.45 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
PubChem CID11884081
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC Name[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
SMILESCCCS(=O)(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O7S/c1-3-8-27(21,22)19-13-9-24-16-14(10-25-15(13)16)26-17(20)18-11-4-6-12(23-2)7-5-11/h4-7,13-16,19H,3,8-10H2,1-2H3,(H,18,20)/t13-,14+,15+,16+/m0/s1
InChIKeyUZMUQMPKEJLOOU-ZJIFWQFVSA-N
XLogP1.11
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate (CID 11884081) is [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate is CCCS(=O)(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate?
The InChIKey is UZMUQMPKEJLOOU-ZJIFWQFVSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-3-8-27(21,22)19-13-9-24-16-14(10-25-15(13)16)26-17(20)18-11-4-6-12(23-2)7-5-11/h4-7,13-16,19H,3,8-10H2,1-2H3,(H,18,20)/t13-,14+,15+,16+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate?
[(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate has a molecular weight of 400.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 11884081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).