[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate

C16H28N2O6S — CID 74699972

IUPAC[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
SMILESCCCS(=O)(=O)NC1COC2C(OC(=O)NC3CCCCC3)COC12
InChIInChI=1S/C16H28N2O6S/c1-2-8-25(20,21)18-12-9-22-15-13(10-23-14(12)15)24-16(19)17-11-6-4-3-5-7-11/h11-15,18H,2-10H2,1H3,(H,17,19)
InChIKeyVMASFSZICBLZND-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.91
Rot. Bonds6

About [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate

[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate (PubChem CID 74699972) has the molecular formula C16H28N2O6S and a molecular weight of 376.48 g/mol. Its IUPAC name is [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
PubChem CID74699972
Molecular FormulaC16H28N2O6S
Molecular Weight376.48 g/mol
Exact Mass376.17
IUPAC Name[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
SMILESCCCS(=O)(=O)NC1COC2C(OC(=O)NC3CCCCC3)COC12
InChIInChI=1S/C16H28N2O6S/c1-2-8-25(20,21)18-12-9-22-15-13(10-23-14(12)15)24-16(19)17-11-6-4-3-5-7-11/h11-15,18H,2-10H2,1H3,(H,17,19)
InChIKeyVMASFSZICBLZND-UHFFFAOYSA-N
XLogP0.91
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate?
The IUPAC name of [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate (CID 74699972) is [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate is CCCS(=O)(=O)NC1COC2C(OC(=O)NC3CCCCC3)COC12.
What is the InChIKey of [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate?
The InChIKey is VMASFSZICBLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6S/c1-2-8-25(20,21)18-12-9-22-15-13(10-23-14(12)15)24-16(19)17-11-6-4-3-5-7-11/h11-15,18H,2-10H2,1H3,(H,17,19).
What are the key properties of [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate?
[3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate has a molecular weight of 376.48 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylsulfonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 74699972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).