N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide

C15H25N3O2S — CID 63230577

IUPACN-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C15H25N3O2S/c1-3-11-18(15-10-5-4-9-14(15)16)21(19,20)17-12-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12,16H2,1-2H3
InChIKeyGJGIOZOSMRZLKI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.60
Rot. Bonds5

About N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide

N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 63230577) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID63230577
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C15H25N3O2S/c1-3-11-18(15-10-5-4-9-14(15)16)21(19,20)17-12-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12,16H2,1-2H3
InChIKeyGJGIOZOSMRZLKI-UHFFFAOYSA-N
XLogP2.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide (CID 63230577) is N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide is CCCN(c1ccccc1N)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is GJGIOZOSMRZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-11-18(15-10-5-4-9-14(15)16)21(19,20)17-12-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12,16H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide?
N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 63230577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).