2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide

C13H28N2O3S — CID 79717397

IUPAC2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CCOCC
InChIInChI=1S/C13H28N2O3S/c1-3-9-15(12-13-5-7-14-8-6-13)19(16,17)11-10-18-4-2/h13-14H,3-12H2,1-2H3
InChIKeyMJWSSTCJMUXCTI-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds9

About 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide

2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide (PubChem CID 79717397) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
PubChem CID79717397
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CCOCC
InChIInChI=1S/C13H28N2O3S/c1-3-9-15(12-13-5-7-14-8-6-13)19(16,17)11-10-18-4-2/h13-14H,3-12H2,1-2H3
InChIKeyMJWSSTCJMUXCTI-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
CID 55173527
N-ethyl-2-methoxy-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717472
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 63245775
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide (CID 79717397) is 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide is CCCN(CC1CCNCC1)S(=O)(=O)CCOCC.
What is the InChIKey of 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide?
The InChIKey is MJWSSTCJMUXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-9-15(12-13-5-7-14-8-6-13)19(16,17)11-10-18-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide?
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide is sourced from PubChem (CID 79717397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).