(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide

C11H16N2OS — CID 164536455

IUPAC(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCc1ccnc(/C=N/[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C11H16N2OS/c1-9-5-6-12-10(7-9)8-13-15(14)11(2,3)4/h5-8H,1-4H3/b13-8+/t15-/m1/s1
InChIKeyLXJUCVCAFNPNIB-XETPBLJFSA-N
MW224.33 g/mol
LogP2.27
Rot. Bonds2

About (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide

(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide (PubChem CID 164536455) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide
PubChem CID164536455
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide
SMILESCc1ccnc(/C=N/[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C11H16N2OS/c1-9-5-6-12-10(7-9)8-13-15(14)11(2,3)4/h5-8H,1-4H3/b13-8+/t15-/m1/s1
InChIKeyLXJUCVCAFNPNIB-XETPBLJFSA-N
XLogP2.27
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.27
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

(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 138110985
(R)-2-methyl-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]propane-2-sulfinamide;(R)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methylidene]propane-2-sulfinamide
CID 161405480
(NE,R)-2-methyl-N-[(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 165403076
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
CID 139413501
(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530933
(NE)-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methylidene]propane-2-sulfinamide
CID 165402940
(NE,R)-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methylidene]propane-2-sulfinamide
CID 165402960
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
CID 123995263
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
CID 138705555

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide (CID 164536455) is (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide is Cc1ccnc(/C=N/[S@](=O)C(C)(C)C)c1.
What is the InChIKey of (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
The InChIKey is LXJUCVCAFNPNIB-XETPBLJFSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-5-6-12-10(7-9)8-13-15(14)11(2,3)4/h5-8H,1-4H3/b13-8+/t15-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide?
(NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide has a molecular weight of 224.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-[(4-methyl-2-pyridinyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 164536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).