N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide

C20H29N3O3S — CID 166614218

IUPACN-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](c3ccccc3)N1C2
InChIInChI=1S/C20H29N3O3S/c1-27(25,26)21-11-20(24)22-12-15-10-17(14-22)19-9-5-8-18(23(19)13-15)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3/t15-,17+,18+,19-/m0/s1
InChIKeyULHAKDJAZJHFAA-AITUJVMLSA-N
MW391.54 g/mol
LogP1.61
Rot. Bonds4

About N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide

N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide (PubChem CID 166614218) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide
PubChem CID166614218
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](c3ccccc3)N1C2
InChIInChI=1S/C20H29N3O3S/c1-27(25,26)21-11-20(24)22-12-15-10-17(14-22)19-9-5-8-18(23(19)13-15)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3/t15-,17+,18+,19-/m0/s1
InChIKeyULHAKDJAZJHFAA-AITUJVMLSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

2-(cyclopropylamino)-1-[(1R,2S,6R,9R)-6-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethanone;dihydrochloride
CID 171322649
1-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-pyridin-3-ylethanone
CID 166617541
[2-[(1R,2S,6R,9R)-6-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-oxoethyl]urea
CID 166616362
1-[(1R,2S,6R,9R)-6-benzyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]propan-1-one
CID 166623926
N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide
CID 72917936
[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 166620351
(2S)-2-amino-1-[(1R,2S,6R,9R)-6-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-methylbutan-1-one;dihydrochloride
CID 171322188
tert-butyl N-[(3S,4R)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]carbamate
CID 100741005
6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
CID 166617675
(1R,2S,6R,9R)-11-(6-methylpyridazin-3-yl)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 166619226
1-[(1R,2S,6R,9R)-6-benzyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-(2-hydroxyphenyl)ethanone
CID 166617678
methyl 2-[[(1R,2S,6R,9R)-6-benzyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]amino]acetate
CID 166618091

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide (CID 166614218) is N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](c3ccccc3)N1C2.
What is the InChIKey of N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide?
The InChIKey is ULHAKDJAZJHFAA-AITUJVMLSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-27(25,26)21-11-20(24)22-12-15-10-17(14-22)19-9-5-8-18(23(19)13-15)16-6-3-2-4-7-16/h2-4,6-7,15,17-19,21H,5,8-14H2,1H3/t15-,17+,18+,19-/m0/s1.
What are the key properties of N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide?
N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 166614218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).