(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide

C14H16N2OS2 — CID 123911781

IUPAC(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H16N2OS2/c1-14(2,3)19(17)16-10-11-7-8-13(18-11)12-6-4-5-9-15-12/h4-10H,1-3H3/t19-/m1/s1
InChIKeyXPAQKYSPKKBUFD-LJQANCHMSA-N
MW292.43 g/mol
LogP3.69
Rot. Bonds3

About (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide (PubChem CID 123911781) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
PubChem CID123911781
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H16N2OS2/c1-14(2,3)19(17)16-10-11-7-8-13(18-11)12-6-4-5-9-15-12/h4-10H,1-3H3/t19-/m1/s1
InChIKeyXPAQKYSPKKBUFD-LJQANCHMSA-N
XLogP3.69
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.69
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

2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
CID 169026548
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-(5-propa-1,2-dienylthiophen-2-yl)pyridine
CID 91148303
methyl 5-pyridin-2-ylthiophene-2-sulfinate
CID 170209502
(R)-2-methyl-N-[(6-phenyl-2-pyridinyl)methylidene]propane-2-sulfinamide
CID 135366325
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
CID 172744712
2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
CID 59453583
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide
CID 164536455
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
CID 123995263

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide (CID 123911781) is (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1ccc(-c2ccccn2)s1.
What is the InChIKey of (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The InChIKey is XPAQKYSPKKBUFD-LJQANCHMSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-14(2,3)19(17)16-10-11-7-8-13(18-11)12-6-4-5-9-15-12/h4-10H,1-3H3/t19-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide has a molecular weight of 292.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 123911781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).