2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide

C13H18N2O3S — CID 63098374

IUPAC2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
SMILESNc1ccccc1S(=O)CC(=O)NC1CCOCC1
InChIInChI=1S/C13H18N2O3S/c14-11-3-1-2-4-12(11)19(17)9-13(16)15-10-5-7-18-8-6-10/h1-4,10H,5-9,14H2,(H,15,16)
InChIKeyJKXKZFAVRUTIRA-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.67
Rot. Bonds4

About 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide

2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide (PubChem CID 63098374) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
PubChem CID63098374
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
SMILESNc1ccccc1S(=O)CC(=O)NC1CCOCC1
InChIInChI=1S/C13H18N2O3S/c14-11-3-1-2-4-12(11)19(17)9-13(16)15-10-5-7-18-8-6-10/h1-4,10H,5-9,14H2,(H,15,16)
InChIKeyJKXKZFAVRUTIRA-UHFFFAOYSA-N
XLogP0.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 81181407
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370
2-(2-aminophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 61368440
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
CID 81201540
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide (CID 63098374) is 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide is Nc1ccccc1S(=O)CC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The InChIKey is JKXKZFAVRUTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-11-3-1-2-4-12(11)19(17)9-13(16)15-10-5-7-18-8-6-10/h1-4,10H,5-9,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide?
2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).