N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide

C11H18N4O2S — CID 121019887

IUPACN,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C11H18N4O2S/c1-13(2)18(16,17)14-6-7-15-11(8-14)9-4-3-5-10(9)12-15/h3-8H2,1-2H3
InChIKeyDXFMZGDZDALHCM-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.01
Rot. Bonds2

About N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide

N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide (PubChem CID 121019887) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide
PubChem CID121019887
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C11H18N4O2S/c1-13(2)18(16,17)14-6-7-15-11(8-14)9-4-3-5-10(9)12-15/h3-8H2,1-2H3
InChIKeyDXFMZGDZDALHCM-UHFFFAOYSA-N
XLogP-0.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide with MolForge

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Related Compounds

N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)methanesulfonamide
CID 86266603
7,8,11-Triazatricyclo(6.4.0.0,2,6)dodeca-1,6-diene hydrochloride
CID 155858842
11-(3,3,3-Trifluoropropanesulfonyl)-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene
CID 119102663
7,8,11-Triazatricyclo[6.4.0.0,2,6]dodeca-1,6-diene
CID 75481037
3-(fluoromethyl)-1-({2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methyl)piperidine
CID 163343653
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)pyrrolidine-1-sulfonamide
CID 91819430
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 59050189
3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 70631202
2,3-diethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 89383723
1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 117611740
1,3-diethyl-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 117614477
1-ethyl-5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118489254

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide?
The IUPAC name of N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide (CID 121019887) is N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide.
What is the SMILES notation for N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide?
The canonical SMILES for N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide is CN(C)S(=O)(=O)N1CCn2nc3c(c2C1)CCC3.
What is the InChIKey of N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide?
The InChIKey is DXFMZGDZDALHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13(2)18(16,17)14-6-7-15-11(8-14)9-4-3-5-10(9)12-15/h3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide?
N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-sulfonamide is sourced from PubChem (CID 121019887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).