(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14INOS — CID 176889509

IUPAC(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cccc(I)c1
InChIInChI=1S/C11H14INOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m1/s1
InChIKeyNSXHIVCQWXCARH-XETPBLJFSA-N
MW335.21 g/mol
LogP3.17
Rot. Bonds2

About (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 176889509) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID176889509
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC Name(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cccc(I)c1
InChIInChI=1S/C11H14INOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m1/s1
InChIKeyNSXHIVCQWXCARH-XETPBLJFSA-N
XLogP3.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[(3-methylphenyl)methylidene]propane-2-sulfinamide
CID 155662866
(NE,R)-N-[(3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87105645
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(NE,R)-2-methyl-N-[[3-(3-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135367476
(NE)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 139428074
(R)-2-methyl-N-[[3-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 135366756
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(NE,R)-N-[(3-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337433
(R)-N-[[3-(5-chlorothiophen-2-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 135366544
(NE,S)-N-[(4-bromo-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666329
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 176889509) is (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1cccc(I)c1.
What is the InChIKey of (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NSXHIVCQWXCARH-XETPBLJFSA-N. The full InChI is InChI=1S/C11H14INOS/c1-11(2,3)15(14)13-8-9-5-4-6-10(12)7-9/h4-8H,1-3H3/b13-8+/t15-/m1/s1.
What are the key properties of (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 335.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(3-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).