N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide

C18H28N2O4S — CID 155915788

IUPACN-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)o3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H28N2O4S/c1-3-8-25(21,22)19-9-15-16-11-20(10-14-5-4-13(2)23-14)12-18(16)7-6-17(15)24-18/h4-5,15-17,19H,3,6-12H2,1-2H3/t15-,16+,17+,18+/m0/s1
InChIKeyFOIQLIZRZKAAKS-BSDSXHPESA-N
MW368.50 g/mol
LogP1.90
Rot. Bonds7

About N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide

N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide (PubChem CID 155915788) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide
PubChem CID155915788
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)o3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H28N2O4S/c1-3-8-25(21,22)19-9-15-16-11-20(10-14-5-4-13(2)23-14)12-18(16)7-6-17(15)24-18/h4-5,15-17,19H,3,6-12H2,1-2H3/t15-,16+,17+,18+/m0/s1
InChIKeyFOIQLIZRZKAAKS-BSDSXHPESA-N
XLogP1.90
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide
CID 155492871
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
CID 155495134
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155508389
2-[(1S,5S,6R,7R)-6-[(ethylsulfonylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-N-(2-methylpropyl)acetamide
CID 155509120
N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155492252
N-[[(1S,5S,6R,7R)-3-[(1-methylimidazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
CID 169413743
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065
N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154817277
N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155494774
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
CID 169419841
5-ethyl-N-[[(1S,5S,6R,7R)-3-[(5-ethylthiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155491427
2-[[(1S,5S,6R,7R)-6-[(butanoylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]benzoic acid
CID 155508463

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide (CID 155915788) is N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)o3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide?
The InChIKey is FOIQLIZRZKAAKS-BSDSXHPESA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-8-25(21,22)19-9-15-16-11-20(10-14-5-4-13(2)23-14)12-18(16)7-6-17(15)24-18/h4-5,15-17,19H,3,6-12H2,1-2H3/t15-,16+,17+,18+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide?
N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 155915788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).