4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide

C13H29N3O3S — CID 106053929

IUPAC4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCCCCOC)CC1
InChIInChI=1S/C13H29N3O3S/c1-3-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-5-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyDXGKLJNOVXRHAE-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds10

About 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide

4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide (PubChem CID 106053929) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
PubChem CID106053929
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCCCCOC)CC1
InChIInChI=1S/C13H29N3O3S/c1-3-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-5-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyDXGKLJNOVXRHAE-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

N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
4-(ethylamino)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813693
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
methyl 2-[1-(ethylsulfamoyl)piperidin-4-yl]acetate
CID 58553182

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide (CID 106053929) is 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)NCCCCOC)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The InChIKey is DXGKLJNOVXRHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-3-14-12-13-6-9-16(10-7-13)20(17,18)15-8-4-5-11-19-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
4-(ethylaminomethyl)-N-(4-methoxybutyl)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 4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106053929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).