CID 159547054

C10H11NO3S — CID 159547054

IUPAC—
SMILESCc1ccc2oc(C)cc2c1.N=S(=O)=O
InChIInChI=1S/C10H10O.HNO2S/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-4(2)3/h3-6H,1-2H3;1H
InChIKeyMEXXASWWOYECFG-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.68
Rot. Bonds

About CID 159547054

CID 159547054 (PubChem CID 159547054) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol.

Molecular Properties

Compound NameCID 159547054
PubChem CID159547054
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name—
SMILESCc1ccc2oc(C)cc2c1.N=S(=O)=O
InChIInChI=1S/C10H10O.HNO2S/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-4(2)3/h3-6H,1-2H3;1H
InChIKeyMEXXASWWOYECFG-UHFFFAOYSA-N
XLogP2.68
TPSA71.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 159547054?
The IUPAC name of CID 159547054 (CID 159547054) is not available.
What is the SMILES notation for CID 159547054?
The canonical SMILES for CID 159547054 is Cc1ccc2oc(C)cc2c1.N=S(=O)=O.
What is the InChIKey of CID 159547054?
The InChIKey is MEXXASWWOYECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.HNO2S/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-4(2)3/h3-6H,1-2H3;1H.
What are the key properties of CID 159547054?
CID 159547054 has a molecular weight of 225.27 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159547054 is sourced from PubChem (CID 159547054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).