2-[(3-aminophenyl)methylsulfonylamino]propanamide

C10H15N3O3S — CID 43545255

IUPAC2-[(3-aminophenyl)methylsulfonylamino]propanamide
SMILESCC(NS(=O)(=O)Cc1cccc(N)c1)C(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6,11H2,1H3,(H2,12,14)
InChIKeyUWKFSGLCRYYNDT-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.44
Rot. Bonds5

About 2-[(3-aminophenyl)methylsulfonylamino]propanamide

2-[(3-aminophenyl)methylsulfonylamino]propanamide (PubChem CID 43545255) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methylsulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methylsulfonylamino]propanamide
PubChem CID43545255
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(3-aminophenyl)methylsulfonylamino]propanamide
SMILESCC(NS(=O)(=O)Cc1cccc(N)c1)C(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6,11H2,1H3,(H2,12,14)
InChIKeyUWKFSGLCRYYNDT-UHFFFAOYSA-N
XLogP-0.44
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
2-[(3-carbamothioylphenyl)methylsulfonylamino]-N,N-dimethylpropanamide
CID 61467958
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methylsulfonylamino]propanamide?
The IUPAC name of 2-[(3-aminophenyl)methylsulfonylamino]propanamide (CID 43545255) is 2-[(3-aminophenyl)methylsulfonylamino]propanamide.
What is the SMILES notation for 2-[(3-aminophenyl)methylsulfonylamino]propanamide?
The canonical SMILES for 2-[(3-aminophenyl)methylsulfonylamino]propanamide is CC(NS(=O)(=O)Cc1cccc(N)c1)C(N)=O.
What is the InChIKey of 2-[(3-aminophenyl)methylsulfonylamino]propanamide?
The InChIKey is UWKFSGLCRYYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6,11H2,1H3,(H2,12,14).
What are the key properties of 2-[(3-aminophenyl)methylsulfonylamino]propanamide?
2-[(3-aminophenyl)methylsulfonylamino]propanamide has a molecular weight of 257.31 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methylsulfonylamino]propanamide is sourced from PubChem (CID 43545255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).