3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide

C10H15N3O3S — CID 43553098

IUPAC3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7-8(11)3-2-4-9(7)17(15,16)13-6-5-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyZVXZQSCZALZNRL-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.27
Rot. Bonds5

About 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide

3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide (PubChem CID 43553098) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
PubChem CID43553098
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-7-8(11)3-2-4-9(7)17(15,16)13-6-5-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyZVXZQSCZALZNRL-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
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-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
CID 81190318
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide (CID 43553098) is 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide is Cc1c(N)cccc1S(=O)(=O)NCCC(N)=O.
What is the InChIKey of 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide?
The InChIKey is ZVXZQSCZALZNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-8(11)3-2-4-9(7)17(15,16)13-6-5-10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14).
What are the key properties of 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide?
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide has a molecular weight of 257.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43553098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).