(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one

C10H12N2O4S — CID 68782293

IUPAC(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C10H12N2O4S/c1-17(15,16)7-2-3-9-6(4-7)5-8(11)10(13)12(9)14/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
InChIKeyDCDAZYUICFYKIM-QMMMGPOBSA-N
MW256.28 g/mol
LogP-0.30
Rot. Bonds1

About (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 68782293) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one
PubChem CID68782293
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C10H12N2O4S/c1-17(15,16)7-2-3-9-6(4-7)5-8(11)10(13)12(9)14/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
InChIKeyDCDAZYUICFYKIM-QMMMGPOBSA-N
XLogP-0.30
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one (CID 68782293) is (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one is CS(=O)(=O)c1ccc2c(c1)C[C@H](N)C(=O)N2O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one?
The InChIKey is DCDAZYUICFYKIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-17(15,16)7-2-3-9-6(4-7)5-8(11)10(13)12(9)14/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 256.28 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68782293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).