1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide

C15H25N3O2S — CID 62021095

IUPAC1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1N)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-13(18-9-5-2-6-10-18)11-17-21(19,20)12-14-7-3-4-8-15(14)16/h3-4,7-8,13,17H,2,5-6,9-12,16H2,1H3
InChIKeyQYFVTFFGBYHBSY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide

1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 62021095) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID62021095
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1N)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-13(18-9-5-2-6-10-18)11-17-21(19,20)12-14-7-3-4-8-15(14)16/h3-4,7-8,13,17H,2,5-6,9-12,16H2,1H3
InChIKeyQYFVTFFGBYHBSY-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.56
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

3-amino-N-(2-piperidin-1-ylpropyl)pyridine-2-sulfonamide
CID 103305481
1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
CID 110403434
1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 63663943
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-cyano-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 55207029
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 110403948
1-(2-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
CID 83013302
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide (CID 62021095) is 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccccc1N)N1CCCCC1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is QYFVTFFGBYHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(18-9-5-2-6-10-18)11-17-21(19,20)12-14-7-3-4-8-15(14)16/h3-4,7-8,13,17H,2,5-6,9-12,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 62021095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).