2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide

C15H25N3O2S — CID 106026481

IUPAC2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C15H25N3O2S/c1-2-5-13-7-9-14(10-8-13)17-21(19,20)18-11-4-3-6-15(18)12-16/h7-10,15,17H,2-6,11-12,16H2,1H3
InChIKeyOBRHPZBMGPBMDE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.11
Rot. Bonds6

About 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide (PubChem CID 106026481) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
PubChem CID106026481
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C15H25N3O2S/c1-2-5-13-7-9-14(10-8-13)17-21(19,20)18-11-4-3-6-15(18)12-16/h7-10,15,17H,2-6,11-12,16H2,1H3
InChIKeyOBRHPZBMGPBMDE-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 81490451
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089816

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide (CID 106026481) is 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide is CCCc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide?
The InChIKey is OBRHPZBMGPBMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-5-13-7-9-14(10-8-13)17-21(19,20)18-11-4-3-6-15(18)12-16/h7-10,15,17H,2-6,11-12,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106026481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).