CID 10506627

C23H34ClN2O2RhS+ — CID 10506627

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N)cc1.Cl[Rh+2]
InChIInChI=1S/C13H19N2O2S.C10H15.ClH.Rh/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-6-7(2)9(4)10(5)8(6)3;;/h6-9,12-13H,2-5,14H2,1H3;1-5H3;1H;/q-1;;;+3/p-1/t12-,13-;;;/m1.../s1
InChIKeyIALCCONWPWPIDY-GPWCTTBFSA-M
MW540.96 g/mol
LogP5.99
Rot. Bonds3

About CID 10506627

CID 10506627 (PubChem CID 10506627) has the molecular formula C23H34ClN2O2RhS+ and a molecular weight of 540.96 g/mol.

Molecular Properties

Compound NameCID 10506627
PubChem CID10506627
Molecular FormulaC23H34ClN2O2RhS+
Molecular Weight540.96 g/mol
Exact Mass540.11
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N)cc1.Cl[Rh+2]
InChIInChI=1S/C13H19N2O2S.C10H15.ClH.Rh/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-6-7(2)9(4)10(5)8(6)3;;/h6-9,12-13H,2-5,14H2,1H3;1-5H3;1H;/q-1;;;+3/p-1/t12-,13-;;;/m1.../s1
InChIKeyIALCCONWPWPIDY-GPWCTTBFSA-M
XLogP5.99
TPSA74.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.96
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 134945731
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
aluminum;benzenesulfonyl-[(1R,2R)-2-(benzenesulfonylazanidyl)cyclohexyl]azanide;2-methanidylpropane
CID 11027187
carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide
CID 158980027
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
2-(4-methylsulfonylphenyl)sulfonylcyclohexan-1-amine
CID 64675519
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
(1-methylthiolan-1-ium-2-yl) 4-methylbenzenesulfonate
CID 23220593
1-azoniabicyclo[2.2.2]octan-1-yl 4-methylbenzenesulfonate
CID 87568143

Frequently Asked Questions

What is the IUPAC name of CID 10506627?
The IUPAC name of CID 10506627 (CID 10506627) is not available.
What is the SMILES notation for CID 10506627?
The canonical SMILES for CID 10506627 is C[C]1[C](C)[C](C)[C](C)[C]1C.Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N)cc1.Cl[Rh+2].
What is the InChIKey of CID 10506627?
The InChIKey is IALCCONWPWPIDY-GPWCTTBFSA-M. The full InChI is InChI=1S/C13H19N2O2S.C10H15.ClH.Rh/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-6-7(2)9(4)10(5)8(6)3;;/h6-9,12-13H,2-5,14H2,1H3;1-5H3;1H;/q-1;;;+3/p-1/t12-,13-;;;/m1.../s1.
What are the key properties of CID 10506627?
CID 10506627 has a molecular weight of 540.96 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10506627 is sourced from PubChem (CID 10506627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).