2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H23N3O2S — CID 62991124

IUPAC2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1N)CN1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(11-17-8-4-5-9-17)10-16-20(18,19)14-7-3-2-6-13(14)15/h2-3,6-7,12,16H,4-5,8-11,15H2,1H3
InChIKeyPQSOIZZXLPHBDI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.28
Rot. Bonds6

About 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 62991124) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID62991124
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1N)CN1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(11-17-8-4-5-9-17)10-16-20(18,19)14-7-3-2-6-13(14)15/h2-3,6-7,12,16H,4-5,8-11,15H2,1H3
InChIKeyPQSOIZZXLPHBDI-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991663
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
CID 62994733
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
2,5-dimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60530202
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 62991124) is 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccccc1N)CN1CCCC1.
What is the InChIKey of 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is PQSOIZZXLPHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(11-17-8-4-5-9-17)10-16-20(18,19)14-7-3-2-6-13(14)15/h2-3,6-7,12,16H,4-5,8-11,15H2,1H3.
What are the key properties of 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 62991124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).