2-(3-aminophenyl)sulfinyl-N-methylpropanamide

C10H14N2O2S — CID 81181250

IUPAC2-(3-aminophenyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O2S/c1-7(10(13)12-2)15(14)9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyPMDHVVREIXXSOC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.51
Rot. Bonds3

About 2-(3-aminophenyl)sulfinyl-N-methylpropanamide

2-(3-aminophenyl)sulfinyl-N-methylpropanamide (PubChem CID 81181250) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfinyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfinyl-N-methylpropanamide
PubChem CID81181250
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(3-aminophenyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O2S/c1-7(10(13)12-2)15(14)9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyPMDHVVREIXXSOC-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.51
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-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
2-(3-aminophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180737
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-[(5-amino-1,3-benzoxazol-2-yl)sulfinyl]-N-methylpropanamide
CID 61367897
3-(3-aminophenyl)sulfinylsulfinylaniline
CID 102249291
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide
CID 81175189
2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81182603
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
CID 54922651

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfinyl-N-methylpropanamide?
The IUPAC name of 2-(3-aminophenyl)sulfinyl-N-methylpropanamide (CID 81181250) is 2-(3-aminophenyl)sulfinyl-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfinyl-N-methylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfinyl-N-methylpropanamide is CNC(=O)C(C)S(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfinyl-N-methylpropanamide?
The InChIKey is PMDHVVREIXXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(10(13)12-2)15(14)9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-aminophenyl)sulfinyl-N-methylpropanamide?
2-(3-aminophenyl)sulfinyl-N-methylpropanamide has a molecular weight of 226.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfinyl-N-methylpropanamide is sourced from PubChem (CID 81181250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).