N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide

C13H28N2O4S — CID 82952228

IUPACN,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C13H28N2O4S/c1-3-18-11-9-15(10-12-19-4-2)20(16,17)13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3
InChIKeyXJIXPKLNXXRHRQ-UHFFFAOYSA-N
MW308.44 g/mol
LogP0.44
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide

N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide (PubChem CID 82952228) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide
PubChem CID82952228
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC NameN,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C13H28N2O4S/c1-3-18-11-9-15(10-12-19-4-2)20(16,17)13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3
InChIKeyXJIXPKLNXXRHRQ-UHFFFAOYSA-N
XLogP0.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
CID 55173527
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
2-ethoxy-N-methyl-N-(2-piperidin-4-yloxyethyl)ethanamine
CID 81055995
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
CID 107480952
N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
CID 81056642

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide (CID 82952228) is N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)C1CCNCC1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide?
The InChIKey is XJIXPKLNXXRHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-3-18-11-9-15(10-12-19-4-2)20(16,17)13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide?
N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide has a molecular weight of 308.44 g/mol, XLogP of 0.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide is sourced from PubChem (CID 82952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).