(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide

C16H22ClN3OS — CID 166506481

IUPAC(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide
SMILESCC[C@@H](CC(C)(C)S(N)=O)c1cnc(C)c2cnc(Cl)cc12
InChIInChI=1S/C16H22ClN3OS/c1-5-11(7-16(3,4)22(18)21)14-9-19-10(2)13-8-20-15(17)6-12(13)14/h6,8-9,11H,5,7,18H2,1-4H3/t11-,22?/m0/s1
InChIKeyYFIBELQLVDOMKE-OEIUOCRHSA-N
MW339.89 g/mol
LogP3.88
Rot. Bonds5

About (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide

(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide (PubChem CID 166506481) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide
PubChem CID166506481
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide
SMILESCC[C@@H](CC(C)(C)S(N)=O)c1cnc(C)c2cnc(Cl)cc12
InChIInChI=1S/C16H22ClN3OS/c1-5-11(7-16(3,4)22(18)21)14-9-19-10(2)13-8-20-15(17)6-12(13)14/h6,8-9,11H,5,7,18H2,1-4H3/t11-,22?/m0/s1
InChIKeyYFIBELQLVDOMKE-OEIUOCRHSA-N
XLogP3.88
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-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

Related Compounds

(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide
CID 140808998
(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
CID 166483741
3-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methylbutan-2-one;ethane
CID 156836099
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
CID 165380906
(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide
CID 140707629
2,3-dichloro-5-pentan-3-ylpyridine
CID 130457362
(E)-4-[6-chloro-1-(3-ethylsulfonylcyclobutyl)oxy-2,7-naphthyridin-4-yl]-2-methylbut-3-ene-2-sulfinamide
CID 176597313
2-chloro-5-pentan-3-ylpyridine
CID 134459618
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
CID 166483385

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide?
The IUPAC name of (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide (CID 166506481) is (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide.
What is the SMILES notation for (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide?
The canonical SMILES for (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide is CC[C@@H](CC(C)(C)S(N)=O)c1cnc(C)c2cnc(Cl)cc12.
What is the InChIKey of (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide?
The InChIKey is YFIBELQLVDOMKE-OEIUOCRHSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c1-5-11(7-16(3,4)22(18)21)14-9-19-10(2)13-8-20-15(17)6-12(13)14/h6,8-9,11H,5,7,18H2,1-4H3/t11-,22?/m0/s1.
What are the key properties of (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide?
(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide has a molecular weight of 339.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide is sourced from PubChem (CID 166506481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).