8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide

C10H9F3N4O2S — CID 155936731

IUPAC8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide
SMILESCN1Cn2c(ccc2C(F)(F)F)-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C10H9F3N4O2S/c1-16-5-17-6(2-3-8(17)10(11,12)13)9-7(4-14-15-9)20(16,18)19/h2-4H,5H2,1H3,(H,14,15)
InChIKeyNQXOOCPASUUKSY-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.49
Rot. Bonds

About 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide

8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide (PubChem CID 155936731) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide.

Molecular Properties

Compound Name8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide
PubChem CID155936731
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC Name8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide
SMILESCN1Cn2c(ccc2C(F)(F)F)-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C10H9F3N4O2S/c1-16-5-17-6(2-3-8(17)10(11,12)13)9-7(4-14-15-9)20(16,18)19/h2-4H,5H2,1H3,(H,14,15)
InChIKeyNQXOOCPASUUKSY-UHFFFAOYSA-N
XLogP1.49
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide 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

1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47070132
2-(1-methylpyrrol-2-yl)-1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60960273
2-(1-methylpyrrol-2-yl)-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 102692050
N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103710702
5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103710703
N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine
CID 155983583

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide?
The IUPAC name of 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide (CID 155936731) is 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide.
What is the SMILES notation for 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide?
The canonical SMILES for 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide is CN1Cn2c(ccc2C(F)(F)F)-c2[nH]ncc2S1(=O)=O.
What is the InChIKey of 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide?
The InChIKey is NQXOOCPASUUKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c1-16-5-17-6(2-3-8(17)10(11,12)13)9-7(4-14-15-9)20(16,18)19/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide?
8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide has a molecular weight of 306.27 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-(trifluoromethyl)-7λ6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide is sourced from PubChem (CID 155936731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).