2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide

C14H22N2O2S — CID 61367476

IUPAC2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)10(2)19(18)12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyPMUGVEWKTYKXEN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide

2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61367476) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID61367476
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)10(2)19(18)12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyPMUGVEWKTYKXEN-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfinylbenzoic acid
CID 60983510
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 61366710
5-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfinylfuran-2-carboxylic acid
CID 63944972
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81194611
2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81189075
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
CID 61288025
2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide
CID 81191660
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide (CID 61367476) is 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is PMUGVEWKTYKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)10(2)19(18)12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide?
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61367476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).