[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate

C10H11NO3S — CID 10933148

IUPAC[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate
SMILESCS(=O)(=O)O/N=C1\CCc2ccccc21
InChIInChI=1S/C10H11NO3S/c1-15(12,13)14-11-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3/b11-10+
InChIKeyBLFSGQITTRWSBO-ZHACJKMWSA-N
MW225.27 g/mol
LogP1.31
Rot. Bonds2

About [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate

[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate (PubChem CID 10933148) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate.

Molecular Properties

Compound Name[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate
PubChem CID10933148
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate
SMILESCS(=O)(=O)O/N=C1\CCc2ccccc21
InChIInChI=1S/C10H11NO3S/c1-15(12,13)14-11-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3/b11-10+
InChIKeyBLFSGQITTRWSBO-ZHACJKMWSA-N
XLogP1.31
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate?
The IUPAC name of [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate (CID 10933148) is [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate.
What is the SMILES notation for [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate?
The canonical SMILES for [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate is CS(=O)(=O)O/N=C1\CCc2ccccc21.
What is the InChIKey of [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate?
The InChIKey is BLFSGQITTRWSBO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-15(12,13)14-11-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3/b11-10+.
What are the key properties of [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate?
[(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate has a molecular weight of 225.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3-dihydroinden-1-ylideneamino] methanesulfonate is sourced from PubChem (CID 10933148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).