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

C19H28N2O3S — CID 155492871

IUPACN-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H28N2O3S/c1-3-25(22,23)20-10-16-17-12-21(11-15-7-5-4-6-14(15)2)13-19(17)9-8-18(16)24-19/h4-7,16-18,20H,3,8-13H2,1-2H3/t16-,17+,18+,19+/m0/s1
InChIKeyMEMWWKMXDGRFRM-WJFTUGDTSA-N
MW364.51 g/mol
LogP1.91
Rot. Bonds6

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

N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide (PubChem CID 155492871) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide
PubChem CID155492871
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H28N2O3S/c1-3-25(22,23)20-10-16-17-12-21(11-15-7-5-4-6-14(15)2)13-19(17)9-8-18(16)24-19/h4-7,16-18,20H,3,8-13H2,1-2H3/t16-,17+,18+,19+/m0/s1
InChIKeyMEMWWKMXDGRFRM-WJFTUGDTSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide 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]cyclobutanecarboxamide
CID 155492521
3-ethoxy-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155507751
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
1-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
CID 155509544
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
N-[[(1S,5S,6R,7R)-3-[(2-phenylpyrazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
CID 169416266
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
3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 154820693
2-ethyl-N-[[(1S,5S,6R,7R)-3-(1H-imidazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155494715
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-[(2,4,5-trifluorophenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155509379
2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155501317

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide?
The IUPAC name of 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) is N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide?
The InChIKey is MEMWWKMXDGRFRM-WJFTUGDTSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-25(22,23)20-10-16-17-12-21(11-15-7-5-4-6-14(15)2)13-19(17)9-8-18(16)24-19/h4-7,16-18,20H,3,8-13H2,1-2H3/t16-,17+,18+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide?
N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 155492871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).