N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide

C13H29N3O3S — CID 114816829

IUPACN-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C13H29N3O3S/c1-12(2)9-14-10-13-5-4-7-16(11-13)20(17,18)15-6-8-19-3/h12-15H,4-11H2,1-3H3
InChIKeyKNPZSTSHCLHBEN-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.42
Rot. Bonds9

About N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide

N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide (PubChem CID 114816829) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
PubChem CID114816829
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C13H29N3O3S/c1-12(2)9-14-10-13-5-4-7-16(11-13)20(17,18)15-6-8-19-3/h12-15H,4-11H2,1-3H3
InChIKeyKNPZSTSHCLHBEN-UHFFFAOYSA-N
XLogP0.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]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

3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide (CID 114816829) is N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCCC(CNCC(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is KNPZSTSHCLHBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-12(2)9-14-10-13-5-4-7-16(11-13)20(17,18)15-6-8-19-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114816829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).