N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene

C17H30N2O2RuS — CID 87833603

IUPACN-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
SMILESCS(=O)(=O)N[C@H]1CCCC[C@@H]1N.Cc1cc(C)c(C)c(C)c1.[Ru]
InChIInChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-8(2)10(4)9(3)6-7;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.0./s1
InChIKeyQZDZDFWXJZXIOR-GRLBGENWSA-N
MW427.58 g/mol
LogP2.72
Rot. Bonds2

About N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene

N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene (PubChem CID 87833603) has the molecular formula C17H30N2O2RuS and a molecular weight of 427.58 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
PubChem CID87833603
Molecular FormulaC17H30N2O2RuS
Molecular Weight427.58 g/mol
Exact Mass428.11
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
SMILESCS(=O)(=O)N[C@H]1CCCC[C@@H]1N.Cc1cc(C)c(C)c(C)c1.[Ru]
InChIInChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-8(2)10(4)9(3)6-7;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.0./s1
InChIKeyQZDZDFWXJZXIOR-GRLBGENWSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene (CID 87833603) is N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene is CS(=O)(=O)N[C@H]1CCCC[C@@H]1N.Cc1cc(C)c(C)c(C)c1.[Ru].
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene?
The InChIKey is QZDZDFWXJZXIOR-GRLBGENWSA-N. The full InChI is InChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-8(2)10(4)9(3)6-7;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.0./s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene?
N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene has a molecular weight of 427.58 g/mol, XLogP of 2.72, 2 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]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 87833603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).