3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide

C11H17N3O3S — CID 43553101

IUPAC3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(N)=O)c1C
InChIInChI=1S/C11H17N3O3S/c1-7-5-9(12)6-10(8(7)2)18(16,17)14-4-3-11(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyRETHUOPSPSEPFT-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.04
Rot. Bonds5

About 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide

3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 43553101) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
PubChem CID43553101
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(N)=O)c1C
InChIInChI=1S/C11H17N3O3S/c1-7-5-9(12)6-10(8(7)2)18(16,17)14-4-3-11(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyRETHUOPSPSEPFT-UHFFFAOYSA-N
XLogP0.04
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.04
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

3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
CID 107328689

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide (CID 43553101) is 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide is Cc1cc(N)cc(S(=O)(=O)NCCC(N)=O)c1C.
What is the InChIKey of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is RETHUOPSPSEPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-5-9(12)6-10(8(7)2)18(16,17)14-4-3-11(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide?
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43553101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).