(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide

C7H13N3O2S — CID 73211948

IUPAC(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide
SMILESC[N+]1(S(=O)(=O)N=C=[N-])CCCCC1
InChIInChI=1S/C7H13N3O2S/c1-10(5-3-2-4-6-10)13(11,12)9-7-8/h2-6H2,1H3
InChIKeyOTQODOJUVUDODT-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.61
Rot. Bonds2

About (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide

(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide (PubChem CID 73211948) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide.

Molecular Properties

Compound Name(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide
PubChem CID73211948
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide
SMILESC[N+]1(S(=O)(=O)N=C=[N-])CCCCC1
InChIInChI=1S/C7H13N3O2S/c1-10(5-3-2-4-6-10)13(11,12)9-7-8/h2-6H2,1H3
InChIKeyOTQODOJUVUDODT-UHFFFAOYSA-N
XLogP0.61
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide?
The IUPAC name of (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide (CID 73211948) is (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide.
What is the SMILES notation for (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide?
The canonical SMILES for (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide is C[N+]1(S(=O)(=O)N=C=[N-])CCCCC1.
What is the InChIKey of (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide?
The InChIKey is OTQODOJUVUDODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-10(5-3-2-4-6-10)13(11,12)9-7-8/h2-6H2,1H3.
What are the key properties of (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide?
(1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide has a molecular weight of 203.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-1-ium-1-yl)sulfonyliminomethylideneazanide is sourced from PubChem (CID 73211948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).