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

C13H29N3O3S — CID 106092792

IUPACN-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCCOC)CC1
InChIInChI=1S/C13H29N3O3S/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
InChIKeyOSTWDZBGABFTOK-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds10

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

N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106092792) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106092792
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCCOC)CC1
InChIInChI=1S/C13H29N3O3S/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
InChIKeyOSTWDZBGABFTOK-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.57
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-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
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
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106092792) is N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCCCCOC)CC1.
What is the InChIKey of N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is OSTWDZBGABFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/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 N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106092792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).