(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide

C16H18N2O2S — CID 163337745

IUPAC(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-16(2,3)21(19)18-11-13-6-8-14(9-7-13)20-15-5-4-10-17-12-15/h4-12H,1-3H3/b18-11+/t21-/m0/s1
InChIKeyDERNHFQENFEMMK-DGKKPVBHSA-N
MW302.40 g/mol
LogP3.76
Rot. Bonds4

About (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide

(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide (PubChem CID 163337745) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide
PubChem CID163337745
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-16(2,3)21(19)18-11-13-6-8-14(9-7-13)20-15-5-4-10-17-12-15/h4-12H,1-3H3/b18-11+/t21-/m0/s1
InChIKeyDERNHFQENFEMMK-DGKKPVBHSA-N
XLogP3.76
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
CID 89479374
(R)-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 151898309
(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(R)-2-methyl-N-[[3-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135366756
(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
CID 58570940
(NE,R)-2-methyl-N-[[3-(3-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135367476
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503978
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872
(NE,S)-N-[(3-bromo-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337443
4-[(2E)-2-[(4-pyridin-3-yloxyphenyl)methylidene]hydrazinyl]phenol
CID 143199920
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775

Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide (CID 163337745) is (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide?
The InChIKey is DERNHFQENFEMMK-DGKKPVBHSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-16(2,3)21(19)18-11-13-6-8-14(9-7-13)20-15-5-4-10-17-12-15/h4-12H,1-3H3/b18-11+/t21-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide?
(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide has a molecular weight of 302.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 163337745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).