(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

C15H18Cl2N2OS — CID 87146010

IUPAC(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C15H18Cl2N2OS/c1-9(19-21(20)15(2,3)4)11-8-10-6-5-7-12(16)13(10)18-14(11)17/h5-9,19H,1-4H3/t9-,21+/m0/s1
InChIKeyODILLXVZZIUORA-JLTPVHFHSA-N
MW345.30 g/mol
LogP4.65
Rot. Bonds3

About (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 87146010) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID87146010
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C15H18Cl2N2OS/c1-9(19-21(20)15(2,3)4)11-8-10-6-5-7-12(16)13(10)18-14(11)17/h5-9,19H,1-4H3/t9-,21+/m0/s1
InChIKeyODILLXVZZIUORA-JLTPVHFHSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 87146010) is (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cc2cccc(Cl)c2nc1Cl.
What is the InChIKey of (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ODILLXVZZIUORA-JLTPVHFHSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-9(19-21(20)15(2,3)4)11-8-10-6-5-7-12(16)13(10)18-14(11)17/h5-9,19H,1-4H3/t9-,21+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 345.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87146010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).