N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide

C18H27N3O3S — CID 155917714

IUPACN-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
SMILESCc1cc(N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)nc(C)c1C
InChIInChI=1S/C18H27N3O3S/c1-11-7-17(20-13(3)12(11)2)21-9-15-14(8-19-25(4,22)23)16-5-6-18(15,10-21)24-16/h7,14-16,19H,5-6,8-10H2,1-4H3/t14-,15+,16+,18+/m0/s1
InChIKeyXPUOSAXTRXYJCJ-BVIKNXMNSA-N
MW365.50 g/mol
LogP1.54
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide

N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide (PubChem CID 155917714) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
PubChem CID155917714
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
SMILESCc1cc(N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)nc(C)c1C
InChIInChI=1S/C18H27N3O3S/c1-11-7-17(20-13(3)12(11)2)21-9-15-14(8-19-25(4,22)23)16-5-6-18(15,10-21)24-16/h7,14-16,19H,5-6,8-10H2,1-4H3/t14-,15+,16+,18+/m0/s1
InChIKeyXPUOSAXTRXYJCJ-BVIKNXMNSA-N
XLogP1.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide 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

formic acid;N-[[(1S,5S,6R,7R)-3-[6-(propan-2-ylamino)pyrimidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
CID 155972548
N-[[(1S,5S,6R,7R)-3-(5-fluoro-4-methoxypyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
CID 155505283
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-aminopyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methylbenzamide
CID 155507632
N-[[(1S,5S,6R,7R)-3-(2-methylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155509374
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
3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide
CID 155910084
N-[[(1S,5S,6R,7R)-3-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
CID 155498841
2,3-dimethyl-N-[[(1S,5S,6R,7R)-3-(3-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155918844
N-[[(1S,5S,6R,7R)-3-(3,6-dimethylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155491463
4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155501572
2-methyl-N-[[(1S,5S,6R,7R)-3-(3-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155912231

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide (CID 155917714) is N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide is Cc1cc(N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)nc(C)c1C.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide?
The InChIKey is XPUOSAXTRXYJCJ-BVIKNXMNSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-11-7-17(20-13(3)12(11)2)21-9-15-14(8-19-25(4,22)23)16-5-6-18(15,10-21)24-16/h7,14-16,19H,5-6,8-10H2,1-4H3/t14-,15+,16+,18+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide?
N-[[(1S,5S,6R,7R)-3-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.54, 4 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-(4,5,6-trimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 155917714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).