(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C12H17NO2S — CID 131864709

IUPAC(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H17NO2S/c1-12(2,3)16(14)13-9-10-7-5-6-8-11(10)15-4/h5-9H,1-4H3/t16-/m1/s1
InChIKeyNTVYKWAJRCJACQ-MRXNPFEDSA-N
MW239.34 g/mol
LogP2.58
Rot. Bonds3

About (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 131864709) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID131864709
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H17NO2S/c1-12(2,3)16(14)13-9-10-7-5-6-8-11(10)15-4/h5-9H,1-4H3/t16-/m1/s1
InChIKeyNTVYKWAJRCJACQ-MRXNPFEDSA-N
XLogP2.58
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.58
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

(R)-N-[(4-bromo-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172861335
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(S)-N-[(4,5-difluoro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150591949
N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337639
N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 69246123
(S)-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167713078
(NE,R)-N-[[6-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]dibenzofuran-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 11122880
(NE,R)-N-[[4,5-dimethoxy-2-(2-phenylmethoxyethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 11036868
(NE,R)-N-[(2-fluoro-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666415
(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(NE,R)-N-[(2-bromo-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 168987790
N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337602

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 131864709) is (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is COc1ccccc1C=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NTVYKWAJRCJACQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,3)16(14)13-9-10-7-5-6-8-11(10)15-4/h5-9H,1-4H3/t16-/m1/s1.
What are the key properties of (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 239.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 131864709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).