[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate

C8H10N2O4S — CID 23631755

IUPAC[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(/N)Oc1ccccc1
InChIInChI=1S/C8H10N2O4S/c1-15(11,12)14-10-8(9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10)
InChIKeyRIKPURNWBUTUAS-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.27
Rot. Bonds3

About [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate

[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate (PubChem CID 23631755) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate.

Molecular Properties

Compound Name[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
PubChem CID23631755
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(/N)Oc1ccccc1
InChIInChI=1S/C8H10N2O4S/c1-15(11,12)14-10-8(9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10)
InChIKeyRIKPURNWBUTUAS-UHFFFAOYSA-N
XLogP0.27
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389
phenyl N'-(benzenesulfonyl)carbamimidate
CID 70117116
[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
phenyl N'-(iodomethylsulfonyl)carbamimidate
CID 134986311
phenyl 2-methylsulfonyloxy-2-phenylacetate
CID 118035163
[(Z)-[chloro-(4-phenylphenyl)methylidene]amino] methanesulfonate
CID 134096844
oxo(phenoxy)methanesulfonic acid
CID 54315564
phenyl N'-(2-methylphenyl)carbamimidate
CID 142151989
(2-methylsulfonyl-1-phenoxybut-1-enoxy)benzene
CID 163999254
ethane;(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate;naphthalene
CID 90811602
acetamide;phenyl propanoate
CID 175120271
phenyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754860

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate?
The IUPAC name of [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate (CID 23631755) is [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate.
What is the SMILES notation for [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate?
The canonical SMILES for [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate is CS(=O)(=O)O/N=C(/N)Oc1ccccc1.
What is the InChIKey of [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate?
The InChIKey is RIKPURNWBUTUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-15(11,12)14-10-8(9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10).
What are the key properties of [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate?
[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate has a molecular weight of 230.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate is sourced from PubChem (CID 23631755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).