2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide

C11H25N3O4S — CID 106051256

IUPAC2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
SMILESCOCCOCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H25N3O4S/c1-17-8-9-18-7-5-13-19(15,16)14-6-3-2-4-11(14)10-12/h11,13H,2-10,12H2,1H3
InChIKeyYPQHWNHPHFWHDD-UHFFFAOYSA-N
MW295.40 g/mol
LogP-0.70
Rot. Bonds9

About 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 106051256) has the molecular formula C11H25N3O4S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
PubChem CID106051256
Molecular FormulaC11H25N3O4S
Molecular Weight295.40 g/mol
Exact Mass295.16
IUPAC Name2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
SMILESCOCCOCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H25N3O4S/c1-17-8-9-18-7-5-13-19(15,16)14-6-3-2-4-11(14)10-12/h11,13H,2-10,12H2,1H3
InChIKeyYPQHWNHPHFWHDD-UHFFFAOYSA-N
XLogP-0.70
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide (CID 106051256) is 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide is COCCOCCNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is YPQHWNHPHFWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S/c1-17-8-9-18-7-5-13-19(15,16)14-6-3-2-4-11(14)10-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 295.40 g/mol, XLogP of -0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106051256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).