N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)

C13H20N2O2RuS — CID 87791992

IUPACN-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)
SMILESCS(=O)(=O)N[C-]1CCCCC1N.[Ru+2].[c-]1ccccc1
InChIInChI=1S/C7H15N2O2S.C6H5.Ru/c1-12(10,11)9-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;/h6,9H,2-5,8H2,1H3;1-5H;/q2*-1;+2
InChIKeyOMTWSSWSKFWDDG-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.45
Rot. Bonds2

About N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)

N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+) (PubChem CID 87791992) has the molecular formula C13H20N2O2RuS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+).

Molecular Properties

Compound NameN-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)
PubChem CID87791992
Molecular FormulaC13H20N2O2RuS
Molecular Weight369.45 g/mol
Exact Mass370.03
IUPAC NameN-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)
SMILESCS(=O)(=O)N[C-]1CCCCC1N.[Ru+2].[c-]1ccccc1
InChIInChI=1S/C7H15N2O2S.C6H5.Ru/c1-12(10,11)9-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;/h6,9H,2-5,8H2,1H3;1-5H;/q2*-1;+2
InChIKeyOMTWSSWSKFWDDG-UHFFFAOYSA-N
XLogP1.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)?
The IUPAC name of N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+) (CID 87791992) is N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+).
What is the SMILES notation for N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)?
The canonical SMILES for N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+) is CS(=O)(=O)N[C-]1CCCCC1N.[Ru+2].[c-]1ccccc1.
What is the InChIKey of N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)?
The InChIKey is OMTWSSWSKFWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O2S.C6H5.Ru/c1-12(10,11)9-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;/h6,9H,2-5,8H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+)?
N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+) has a molecular weight of 369.45 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)methanesulfonamide;benzene;ruthenium(2+) is sourced from PubChem (CID 87791992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).