CID 24808888

C25H31IrN2O2S+ — CID 24808888

IUPAC—
SMILESCS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]([NH-])c1ccccc1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir+3]
InChIInChI=1S/C15H16N2O2S.C10H15.Ir/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-6-7(2)9(4)10(5)8(6)3;/h2-11,14-16H,1H3;1-5H3;/q-2;;+3/t14-,15-;;/m0../s1
InChIKeyHDKLYIUTZIJGPN-WVFPUEBHSA-N
MW615.82 g/mol
LogP6.82
Rot. Bonds5

About CID 24808888

CID 24808888 (PubChem CID 24808888) has the molecular formula C25H31IrN2O2S+ and a molecular weight of 615.82 g/mol.

Molecular Properties

Compound NameCID 24808888
PubChem CID24808888
Molecular FormulaC25H31IrN2O2S+
Molecular Weight615.82 g/mol
Exact Mass616.17
IUPAC Name—
SMILESCS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]([NH-])c1ccccc1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir+3]
InChIInChI=1S/C15H16N2O2S.C10H15.Ir/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-6-7(2)9(4)10(5)8(6)3;/h2-11,14-16H,1H3;1-5H3;/q-2;;+3/t14-,15-;;/m0../s1
InChIKeyHDKLYIUTZIJGPN-WVFPUEBHSA-N
XLogP6.82
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 24808888 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

(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841385
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
CID 178184233
[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-methylsulfonylazanide;carbanide;iridium;trifluoromethanesulfonate
CID 134940314
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
CID 11157905
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841386
[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 170545426
(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
CID 24853985
CID 24853985
(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537641
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841387
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(2+)
CID 164887101
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399

Frequently Asked Questions

What is the IUPAC name of CID 24808888?
The IUPAC name of CID 24808888 (CID 24808888) is not available.
What is the SMILES notation for CID 24808888?
The canonical SMILES for CID 24808888 is CS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]([NH-])c1ccccc1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir+3].
What is the InChIKey of CID 24808888?
The InChIKey is HDKLYIUTZIJGPN-WVFPUEBHSA-N. The full InChI is InChI=1S/C15H16N2O2S.C10H15.Ir/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-6-7(2)9(4)10(5)8(6)3;/h2-11,14-16H,1H3;1-5H3;/q-2;;+3/t14-,15-;;/m0../s1.
What are the key properties of CID 24808888?
CID 24808888 has a molecular weight of 615.82 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24808888 is sourced from PubChem (CID 24808888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).