2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide

C12H26N2O3S — CID 55173527

IUPAC2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-3-17-10-11-18(15,16)14(2)9-6-12-4-7-13-8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyLKOVTXMBXDHHRE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds8

About 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide

2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide (PubChem CID 55173527) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
PubChem CID55173527
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-3-17-10-11-18(15,16)14(2)9-6-12-4-7-13-8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyLKOVTXMBXDHHRE-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.67
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

2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-(ethoxymethyl)-N-methyl-2-piperidin-4-ylethanamine
CID 66273653
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide
CID 107206344
N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide
CID 82952228
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide (CID 55173527) is 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide is CCOCCS(=O)(=O)N(C)CCC1CCNCC1.
What is the InChIKey of 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide?
The InChIKey is LKOVTXMBXDHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-17-10-11-18(15,16)14(2)9-6-12-4-7-13-8-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide?
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide is sourced from PubChem (CID 55173527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).