copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)

C15H39CuN6O6S3-3 — CID 142633322

IUPACcopper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)
SMILESCN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.[Cu]
InChIInChI=1S/3C5H13N2O2S.Cu/c3*1-7(2)5-3-4-6-10(8)9;/h3*3-5H2,1-2H3,(H,6,8,9);/q3*-1;
InChIKeyXCWSNYBJMXTAPL-UHFFFAOYSA-N
MW559.26 g/mol
LogP-0.75
Rot. Bonds15

About copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)

copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine) (PubChem CID 142633322) has the molecular formula C15H39CuN6O6S3-3 and a molecular weight of 559.26 g/mol. Its IUPAC name is copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine).

Molecular Properties

Compound Namecopper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)
PubChem CID142633322
Molecular FormulaC15H39CuN6O6S3-3
Molecular Weight559.26 g/mol
Exact Mass558.14
IUPAC Namecopper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)
SMILESCN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.[Cu]
InChIInChI=1S/3C5H13N2O2S.Cu/c3*1-7(2)5-3-4-6-10(8)9;/h3*3-5H2,1-2H3,(H,6,8,9);/q3*-1;
InChIKeyXCWSNYBJMXTAPL-UHFFFAOYSA-N
XLogP-0.75
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)?
The IUPAC name of copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine) (CID 142633322) is copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine).
What is the SMILES notation for copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)?
The canonical SMILES for copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine) is CN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.CN(C)CCCN[S-](=O)=O.[Cu].
What is the InChIKey of copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)?
The InChIKey is XCWSNYBJMXTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H13N2O2S.Cu/c3*1-7(2)5-3-4-6-10(8)9;/h3*3-5H2,1-2H3,(H,6,8,9);/q3*-1;.
What are the key properties of copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine)?
copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine) has a molecular weight of 559.26 g/mol, XLogP of -0.75, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tris(N',N'-dimethyl-N-sulfinatopropane-1,3-diamine) is sourced from PubChem (CID 142633322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).