CID 59029760

C11H12NO2S- — CID 59029760

IUPAC—
SMILES[CH]S1([O-])O[C@@H]2Cc3ccccc3[C@@H]2N1C
InChIInChI=1S/C11H13NO2S/c1-12-11-9-6-4-3-5-8(9)7-10(11)14-15(12,2)13/h2-6,10-11,13H,7H2,1H3/p-1/t10-,11+/m1/s1
InChIKeyRSZDNKCLJOPAEZ-MNOVXSKESA-M
MW222.29 g/mol
LogP2.05
Rot. Bonds

About CID 59029760

CID 59029760 (PubChem CID 59029760) has the molecular formula C11H12NO2S- and a molecular weight of 222.29 g/mol.

Molecular Properties

Compound NameCID 59029760
PubChem CID59029760
Molecular FormulaC11H12NO2S-
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name—
SMILES[CH]S1([O-])O[C@@H]2Cc3ccccc3[C@@H]2N1C
InChIInChI=1S/C11H13NO2S/c1-12-11-9-6-4-3-5-8(9)7-10(11)14-15(12,2)13/h2-6,10-11,13H,7H2,1H3/p-1/t10-,11+/m1/s1
InChIKeyRSZDNKCLJOPAEZ-MNOVXSKESA-M
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59029760?
The IUPAC name of CID 59029760 (CID 59029760) is not available.
What is the SMILES notation for CID 59029760?
The canonical SMILES for CID 59029760 is [CH]S1([O-])O[C@@H]2Cc3ccccc3[C@@H]2N1C.
What is the InChIKey of CID 59029760?
The InChIKey is RSZDNKCLJOPAEZ-MNOVXSKESA-M. The full InChI is InChI=1S/C11H13NO2S/c1-12-11-9-6-4-3-5-8(9)7-10(11)14-15(12,2)13/h2-6,10-11,13H,7H2,1H3/p-1/t10-,11+/m1/s1.
What are the key properties of CID 59029760?
CID 59029760 has a molecular weight of 222.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59029760 is sourced from PubChem (CID 59029760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).