CID 155269279

C10H16N2O3S — CID 155269279

IUPAC—
SMILESCOc1ccc(C)c(C)c1C.NN=S(=O)=O
InChIInChI=1S/C10H14O.H2N2O2S/c1-7-5-6-10(11-4)9(3)8(7)2;1-2-5(3)4/h5-6H,1-4H3;1H2
InChIKeyAQUFXKFCLGPJOT-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.54
Rot. Bonds1

About CID 155269279

CID 155269279 (PubChem CID 155269279) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol.

Molecular Properties

Compound NameCID 155269279
PubChem CID155269279
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name—
SMILESCOc1ccc(C)c(C)c1C.NN=S(=O)=O
InChIInChI=1S/C10H14O.H2N2O2S/c1-7-5-6-10(11-4)9(3)8(7)2;1-2-5(3)4/h5-6H,1-4H3;1H2
InChIKeyAQUFXKFCLGPJOT-UHFFFAOYSA-N
XLogP1.54
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 CID 155269279?
The IUPAC name of CID 155269279 (CID 155269279) is not available.
What is the SMILES notation for CID 155269279?
The canonical SMILES for CID 155269279 is COc1ccc(C)c(C)c1C.NN=S(=O)=O.
What is the InChIKey of CID 155269279?
The InChIKey is AQUFXKFCLGPJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.H2N2O2S/c1-7-5-6-10(11-4)9(3)8(7)2;1-2-5(3)4/h5-6H,1-4H3;1H2.
What are the key properties of CID 155269279?
CID 155269279 has a molecular weight of 244.32 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155269279 is sourced from PubChem (CID 155269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).