1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide

C18H23N3O2S — CID 27307345

IUPAC1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@]12CC[C@@H](c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C18H23N3O2S/c1-17(2)12-9-10-18(17,11-24(22,23)21(3)4)16-15(12)19-13-7-5-6-8-14(13)20-16/h5-8,12H,9-11H2,1-4H3/t12-,18-/m0/s1
InChIKeyZCHORERJIOECOY-SGTLLEGYSA-N
MW345.47 g/mol
LogP2.68
Rot. Bonds3

About 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide

1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 27307345) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide
PubChem CID27307345
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@]12CC[C@@H](c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C18H23N3O2S/c1-17(2)12-9-10-18(17,11-24(22,23)21(3)4)16-15(12)19-13-7-5-6-8-14(13)20-16/h5-8,12H,9-11H2,1-4H3/t12-,18-/m0/s1
InChIKeyZCHORERJIOECOY-SGTLLEGYSA-N
XLogP2.68
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide (CID 27307345) is 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@]12CC[C@@H](c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is ZCHORERJIOECOY-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-17(2)12-9-10-18(17,11-24(22,23)21(3)4)16-15(12)19-13-7-5-6-8-14(13)20-16/h5-8,12H,9-11H2,1-4H3/t12-,18-/m0/s1.
What are the key properties of 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide?
1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,12R)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 27307345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).