[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium

C9H8N5O3S+ — CID 91932643

IUPAC[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium
SMILESNC(S)=[N+]=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C9H7N5O3S/c10-9(18)13-12-7-5-3-4(14(16)17)1-2-6(5)11-8(7)15/h1-3H,(H4,10,11,12,13,15,18)/p+1
InChIKeyPOZADHUWCGYGHA-UHFFFAOYSA-O
MW266.26 g/mol
LogP1.32
Rot. Bonds2

About [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium

[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium (PubChem CID 91932643) has the molecular formula C9H8N5O3S+ and a molecular weight of 266.26 g/mol. Its IUPAC name is [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium.

Molecular Properties

Compound Name[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium
PubChem CID91932643
Molecular FormulaC9H8N5O3S+
Molecular Weight266.26 g/mol
Exact Mass266.03
IUPAC Name[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium
SMILESNC(S)=[N+]=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C9H7N5O3S/c10-9(18)13-12-7-5-3-4(14(16)17)1-2-6(5)11-8(7)15/h1-3H,(H4,10,11,12,13,15,18)/p+1
InChIKeyPOZADHUWCGYGHA-UHFFFAOYSA-O
XLogP1.32
TPSA131.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 135749586

Frequently Asked Questions

What is the IUPAC name of [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium?
The IUPAC name of [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium (CID 91932643) is [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium.
What is the SMILES notation for [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium?
The canonical SMILES for [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium is NC(S)=[N+]=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium?
The InChIKey is POZADHUWCGYGHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7N5O3S/c10-9(18)13-12-7-5-3-4(14(16)17)1-2-6(5)11-8(7)15/h1-3H,(H4,10,11,12,13,15,18)/p+1.
What are the key properties of [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium?
[amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium has a molecular weight of 266.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(sulfanyl)methylidene]-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]azanium is sourced from PubChem (CID 91932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).