N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium

C19H26N2O2RuS — CID 87792352

IUPACN-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N)cc1.[Ru].c1ccccc1
InChIInChI=1S/C13H20N2O2S.C6H6.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-2-4-6-5-3-1;/h6-9,12-13,15H,2-5,14H2,1H3;1-6H;/t12-,13-;;/m0../s1
InChIKeyNJGKMKFKBCZDIB-NJHZPMQHSA-N
MW447.57 g/mol
LogP3.23
Rot. Bonds3

About N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium

N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium (PubChem CID 87792352) has the molecular formula C19H26N2O2RuS and a molecular weight of 447.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
PubChem CID87792352
Molecular FormulaC19H26N2O2RuS
Molecular Weight447.57 g/mol
Exact Mass448.08
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N)cc1.[Ru].c1ccccc1
InChIInChI=1S/C13H20N2O2S.C6H6.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-2-4-6-5-3-1;/h6-9,12-13,15H,2-5,14H2,1H3;1-6H;/t12-,13-;;/m0../s1
InChIKeyNJGKMKFKBCZDIB-NJHZPMQHSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium (CID 87792352) is N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium is Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N)cc1.[Ru].c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium?
The InChIKey is NJGKMKFKBCZDIB-NJHZPMQHSA-N. The full InChI is InChI=1S/C13H20N2O2S.C6H6.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-2-4-6-5-3-1;/h6-9,12-13,15H,2-5,14H2,1H3;1-6H;/t12-,13-;;/m0../s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium?
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium has a molecular weight of 447.57 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium is sourced from PubChem (CID 87792352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).