(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide

C16H18N2OS — CID 135366325

IUPAC(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)20(19)17-12-14-10-7-11-15(18-14)13-8-5-4-6-9-13/h4-12H,1-3H3/t20-/m1/s1
InChIKeyTTZLKPISVCMVOK-HXUWFJFHSA-N
MW286.40 g/mol
LogP3.63
Rot. Bonds3

About (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide (PubChem CID 135366325) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide
PubChem CID135366325
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)20(19)17-12-14-10-7-11-15(18-14)13-8-5-4-6-9-13/h4-12H,1-3H3/t20-/m1/s1
InChIKeyTTZLKPISVCMVOK-HXUWFJFHSA-N
XLogP3.63
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 123541995
(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
CID 123995263
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-(6-phenyl-2-pyridinyl)methanimine
CID 59444818
N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 123786002
(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide
CID 164536455
(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 176889509
2-methyl-N-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylidene]propane-2-sulfinamide
CID 67291056
(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
CID 123911781
(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 138110985

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide (CID 135366325) is (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cccc(-c2ccccc2)n1.
What is the InChIKey of (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The InChIKey is TTZLKPISVCMVOK-HXUWFJFHSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2,3)20(19)17-12-14-10-7-11-15(18-14)13-8-5-4-6-9-13/h4-12H,1-3H3/t20-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide has a molecular weight of 286.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 135366325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).