cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide

C13H27CoN5O7S — CID 138395288

IUPACcobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
SMILESC1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.O=S([O-])O.[Co+2]
InChIInChI=1S/C5H10N.2C4H8N2O2.Co.H2O3S/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;;1-4(2)3/h1-5H2;2*7-8H,1-2H3;;(H2,1,2,3)/q-1;;;+2;/p-1/b;2*5-3+,6-4+;;
InChIKeyIFVNKEGRKGPMMF-DVTASQICSA-M
MW456.39 g/mol
LogP2.25
Rot. Bonds2

About cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide

cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide (PubChem CID 138395288) has the molecular formula C13H27CoN5O7S and a molecular weight of 456.39 g/mol. Its IUPAC name is cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide.

Molecular Properties

Compound Namecobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
PubChem CID138395288
Molecular FormulaC13H27CoN5O7S
Molecular Weight456.39 g/mol
Exact Mass456.10
IUPAC Namecobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
SMILESC1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.O=S([O-])O.[Co+2]
InChIInChI=1S/C5H10N.2C4H8N2O2.Co.H2O3S/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;;1-4(2)3/h1-5H2;2*7-8H,1-2H3;;(H2,1,2,3)/q-1;;;+2;/p-1/b;2*5-3+,6-4+;;
InChIKeyIFVNKEGRKGPMMF-DVTASQICSA-M
XLogP2.25
TPSA204.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 138395283
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hydrogen sulfite;tetramethylazanium
CID 21187123
iron(4+);tetrakis(piperidin-1-ide)
CID 54611926
molybdenum(2+);piperidin-1-ide;pyrrolidin-1-ide
CID 151025303
azanidacycloheptane;tungsten
CID 156681038
lithium azanidacycloheptane
CID 11105324
iron(3+);piperidin-1-ide
CID 150983339
hydrogen sulfite;methanol;hydrochloride
CID 174961977

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The IUPAC name of cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide (CID 138395288) is cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide.
What is the SMILES notation for cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The canonical SMILES for cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide is C1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.O=S([O-])O.[Co+2].
What is the InChIKey of cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The InChIKey is IFVNKEGRKGPMMF-DVTASQICSA-M. The full InChI is InChI=1S/C5H10N.2C4H8N2O2.Co.H2O3S/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;;1-4(2)3/h1-5H2;2*7-8H,1-2H3;;(H2,1,2,3)/q-1;;;+2;/p-1/b;2*5-3+,6-4+;;.
What are the key properties of cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide has a molecular weight of 456.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide is sourced from PubChem (CID 138395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).