N-(3-aminopropyl)-4-methylbenzenesulfonamide

C10H16N2O2S — CID 15444563

IUPACN-(3-aminopropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyCYKXMJPJALYMBC-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.62
Rot. Bonds5

About N-(3-aminopropyl)-4-methylbenzenesulfonamide

N-(3-aminopropyl)-4-methylbenzenesulfonamide (PubChem CID 15444563) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methylbenzenesulfonamide
PubChem CID15444563
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(3-aminopropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyCYKXMJPJALYMBC-UHFFFAOYSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-methylbenzenesulfonamide (CID 15444563) is N-(3-aminopropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methylbenzenesulfonamide?
The InChIKey is CYKXMJPJALYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-methylbenzenesulfonamide?
N-(3-aminopropyl)-4-methylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 15444563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).