3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H23N3O2S — CID 61106956

IUPAC3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-12-5-6-13(11-14(12)15)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10,15H2,1H3
InChIKeyXZXMDOPSLAKEHJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.34
Rot. Bonds6

About 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 61106956) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID61106956
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-12-5-6-13(11-14(12)15)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10,15H2,1H3
InChIKeyXZXMDOPSLAKEHJ-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61107120
4-methyl-3-nitro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 8824055
3-amino-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159874
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 61106956) is 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is XZXMDOPSLAKEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-5-6-13(11-14(12)15)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10,15H2,1H3.
What are the key properties of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 61106956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).