4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide

C13H29N3O2S2 — CID 106093759

IUPAC4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCCSC)CC1
InChIInChI=1S/C13H29N3O2S2/c1-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-3-5-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyBDCKXYJEACBCNN-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.29
Rot. Bonds10

About 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide (PubChem CID 106093759) has the molecular formula C13H29N3O2S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
PubChem CID106093759
Molecular FormulaC13H29N3O2S2
Molecular Weight323.53 g/mol
Exact Mass323.17
IUPAC Name4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCCSC)CC1
InChIInChI=1S/C13H29N3O2S2/c1-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-3-5-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyBDCKXYJEACBCNN-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide (CID 106093759) is 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCCCCSC)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide?
The InChIKey is BDCKXYJEACBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S2/c1-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-3-5-11-19-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide has a molecular weight of 323.53 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106093759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).