4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide

C15H33N3O2S — CID 107818664

IUPAC4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)7-5-3-4-6-10-17-21(19,20)18-11-8-15(13-16)9-12-18/h14-15,17H,3-13,16H2,1-2H3
InChIKeyZWWVDPKNKOLPGP-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.10
Rot. Bonds10

About 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide (PubChem CID 107818664) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
PubChem CID107818664
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)7-5-3-4-6-10-17-21(19,20)18-11-8-15(13-16)9-12-18/h14-15,17H,3-13,16H2,1-2H3
InChIKeyZWWVDPKNKOLPGP-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide (CID 107818664) is 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide is CC(C)CCCCCCNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide?
The InChIKey is ZWWVDPKNKOLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-14(2)7-5-3-4-6-10-17-21(19,20)18-11-8-15(13-16)9-12-18/h14-15,17H,3-13,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide has a molecular weight of 319.52 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide is sourced from PubChem (CID 107818664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).