(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide

C17H20ClN3O2S — CID 166653597

IUPAC(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(Oc2ncc(C=N[S@@](=O)C(C)(C)C)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-16(2,3)24(22)21-9-11-8-20-15(23-17(4)5-6-17)13-10-19-14(18)7-12(11)13/h7-10H,5-6H2,1-4H3/t24-/m0/s1
InChIKeyGSURDJFNXLMRKL-DEOSSOPVSA-N
MW365.89 g/mol
LogP4.10
Rot. Bonds4

About (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 166653597) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID166653597
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(Oc2ncc(C=N[S@@](=O)C(C)(C)C)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-16(2,3)24(22)21-9-11-8-20-15(23-17(4)5-6-17)13-10-19-14(18)7-12(11)13/h7-10H,5-6H2,1-4H3/t24-/m0/s1
InChIKeyGSURDJFNXLMRKL-DEOSSOPVSA-N
XLogP4.10
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 166653597) is (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide is CC1(Oc2ncc(C=N[S@@](=O)C(C)(C)C)c3cc(Cl)ncc23)CC1.
What is the InChIKey of (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is GSURDJFNXLMRKL-DEOSSOPVSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-16(2,3)24(22)21-9-11-8-20-15(23-17(4)5-6-17)13-10-19-14(18)7-12(11)13/h7-10H,5-6H2,1-4H3/t24-/m0/s1.
What are the key properties of (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 365.89 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166653597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).