4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide

C12H27N3O2S — CID 106016881

IUPAC4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)4-3-7-14-18(16,17)15-8-5-12(10-13)6-9-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyVEZLBXFCXSPBPB-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.93
Rot. Bonds7

About 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide (PubChem CID 106016881) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
PubChem CID106016881
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)4-3-7-14-18(16,17)15-8-5-12(10-13)6-9-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyVEZLBXFCXSPBPB-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide 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

4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide (CID 106016881) is 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide is CC(C)CCCNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide?
The InChIKey is VEZLBXFCXSPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)4-3-7-14-18(16,17)15-8-5-12(10-13)6-9-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106016881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).