2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide

C14H20N2O3S — CID 81181407

IUPAC2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
SMILESCc1cc(S(=O)CC(=O)NC2CCOCC2)ccc1N
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(2-3-13(10)15)20(18)9-14(17)16-11-4-6-19-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17)
InChIKeySXRBOIVLPYGJQO-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.98
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide

2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide (PubChem CID 81181407) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
PubChem CID81181407
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
SMILESCc1cc(S(=O)CC(=O)NC2CCOCC2)ccc1N
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(2-3-13(10)15)20(18)9-14(17)16-11-4-6-19-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17)
InChIKeySXRBOIVLPYGJQO-UHFFFAOYSA-N
XLogP0.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.98
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-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
CID 81201540
2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 63098374
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
4-(cyclopropylmethylsulfinyl)-2-methylaniline
CID 81182244
5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370
[2-(oxan-4-ylamino)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 63098369
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
4-(cyclobutylmethylsulfinyl)-2-methylaniline
CID 81182664
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
2-(4-amino-3-methylphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81182160
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide (CID 81181407) is 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide is Cc1cc(S(=O)CC(=O)NC2CCOCC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide?
The InChIKey is SXRBOIVLPYGJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-12(2-3-13(10)15)20(18)9-14(17)16-11-4-6-19-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide?
2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 81181407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).