(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide

C15H18Cl2N2OS — CID 140707629

IUPAC(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H18Cl2N2OS/c1-9(8-15(2,3)21(18)20)12-7-10-6-11(16)4-5-13(10)19-14(12)17/h4-7,9H,8,18H2,1-3H3/t9-,21?/m0/s1
InChIKeyQTAAMGWUFWJRQX-BZEUWDEWSA-N
MW345.30 g/mol
LogP4.44
Rot. Bonds4

About (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide

(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide (PubChem CID 140707629) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide
PubChem CID140707629
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H18Cl2N2OS/c1-9(8-15(2,3)21(18)20)12-7-10-6-11(16)4-5-13(10)19-14(12)17/h4-7,9H,8,18H2,1-3H3/t9-,21?/m0/s1
InChIKeyQTAAMGWUFWJRQX-BZEUWDEWSA-N
XLogP4.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide (CID 140707629) is (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide is C[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide?
The InChIKey is QTAAMGWUFWJRQX-BZEUWDEWSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-9(8-15(2,3)21(18)20)12-7-10-6-11(16)4-5-13(10)19-14(12)17/h4-7,9H,8,18H2,1-3H3/t9-,21?/m0/s1.
What are the key properties of (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide?
(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide has a molecular weight of 345.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140707629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).