(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol

C24H39N3O3S — CID 144958138

IUPAC(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
SMILESCN(C)C1[C@H](N(C)CC2CCN(S(C)(=O)=O)CC2)[C@]2(C)CC1(C)Cc1ccc(O)cc12
InChIInChI=1S/C24H39N3O3S/c1-23-14-18-7-8-19(28)13-20(18)24(2,16-23)22(21(23)25(3)4)26(5)15-17-9-11-27(12-10-17)31(6,29)30/h7-8,13,17,21-22,28H,9-12,14-16H2,1-6H3/t21?,22-,23?,24+/m0/s1
InChIKeyUBYJSPLFXVIPNC-UEUFPXFLSA-N
MW449.66 g/mol
LogP2.52
Rot. Bonds5

About (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol

(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol (PubChem CID 144958138) has the molecular formula C24H39N3O3S and a molecular weight of 449.66 g/mol. Its IUPAC name is (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
PubChem CID144958138
Molecular FormulaC24H39N3O3S
Molecular Weight449.66 g/mol
Exact Mass449.27
IUPAC Name(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
SMILESCN(C)C1[C@H](N(C)CC2CCN(S(C)(=O)=O)CC2)[C@]2(C)CC1(C)Cc1ccc(O)cc12
InChIInChI=1S/C24H39N3O3S/c1-23-14-18-7-8-19(28)13-20(18)24(2,16-23)22(21(23)25(3)4)26(5)15-17-9-11-27(12-10-17)31(6,29)30/h7-8,13,17,21-22,28H,9-12,14-16H2,1-6H3/t21?,22-,23?,24+/m0/s1
InChIKeyUBYJSPLFXVIPNC-UEUFPXFLSA-N
XLogP2.52
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

(1R,9R,13R)-1,10-dimethyl-13-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 118507292
(1R,9R,13R)-13-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl-methylamino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 118507247
(1S,9R,13R)-13-[(1-benzylsulfonylpiperidin-4-yl)methyl-methylamino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126665244
N-tert-butyl-4-[[[(9R,10R)-6-hydroxy-9,12-dimethyl-12-azatetracyclo[7.4.1.01,11.03,8]tetradeca-3(8),4,6-trien-10-yl]-methylamino]methyl]piperidine-1-carboxamide
CID 144958186
(1S,9R,13R)-13-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl-methylamino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126665232
tert-butyl 4-[[[(1R,9S,13S)-4-hydroxy-1,10-dimethyl-13-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trienyl]-methylamino]methyl]piperidine-1-carboxylate
CID 144623296
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 107074192
(1R,9S,14R)-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 6602207
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 47082292
(1S,9R,13R)-13-[ethyl-[2-(4-methylsulfonylphenyl)ethyl]amino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126665194

Frequently Asked Questions

What is the IUPAC name of (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol (CID 144958138) is (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol is CN(C)C1[C@H](N(C)CC2CCN(S(C)(=O)=O)CC2)[C@]2(C)CC1(C)Cc1ccc(O)cc12.
What is the InChIKey of (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol?
The InChIKey is UBYJSPLFXVIPNC-UEUFPXFLSA-N. The full InChI is InChI=1S/C24H39N3O3S/c1-23-14-18-7-8-19(28)13-20(18)24(2,16-23)22(21(23)25(3)4)26(5)15-17-9-11-27(12-10-17)31(6,29)30/h7-8,13,17,21-22,28H,9-12,14-16H2,1-6H3/t21?,22-,23?,24+/m0/s1.
What are the key properties of (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol?
(1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol has a molecular weight of 449.66 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R)-10-(dimethylamino)-1,9-dimethyl-11-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 144958138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).