N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C13H19NOS — CID 69246123

IUPACN-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCCc1ccccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C13H19NOS/c1-5-11-8-6-7-9-12(11)10-14-16(15)13(2,3)4/h6-10H,5H2,1-4H3
InChIKeyQNGQWZYJQHVTGT-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.13
Rot. Bonds3

About N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 69246123) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID69246123
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCCc1ccccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C13H19NOS/c1-5-11-8-6-7-9-12(11)10-14-16(15)13(2,3)4/h6-10H,5H2,1-4H3
InChIKeyQNGQWZYJQHVTGT-UHFFFAOYSA-N
XLogP3.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-N-[[2-(2-bromoethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 134859746
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(NE,S)-N-[[4-(2-ethylphenyl)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 87458484
(NE,R)-N-[(2-fluoro-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666415
(NE,R)-N-[[6-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]dibenzofuran-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 11122880
(R)-N-[(3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167713018
N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 67510993
(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 87427277
(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
(S)-N-[(3-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530745
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 69246123) is N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide is CCc1ccccc1C=NS(=O)C(C)(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QNGQWZYJQHVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-5-11-8-6-7-9-12(11)10-14-16(15)13(2,3)4/h6-10H,5H2,1-4H3.
What are the key properties of N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 237.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 69246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).