2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide

C14H29N3O4S — CID 119647948

IUPAC2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
SMILESCCNCC1CCN(C(=O)CNS(=O)(=O)CCOCC)CC1
InChIInChI=1S/C14H29N3O4S/c1-3-15-11-13-5-7-17(8-6-13)14(18)12-16-22(19,20)10-9-21-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeyJCRARGWZAOMWDB-UHFFFAOYSA-N
MW335.47 g/mol
LogP-0.21
Rot. Bonds10

About 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide

2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide (PubChem CID 119647948) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
PubChem CID119647948
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Name2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
SMILESCCNCC1CCN(C(=O)CNS(=O)(=O)CCOCC)CC1
InChIInChI=1S/C14H29N3O4S/c1-3-15-11-13-5-7-17(8-6-13)14(18)12-16-22(19,20)10-9-21-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeyJCRARGWZAOMWDB-UHFFFAOYSA-N
XLogP-0.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-0.21
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

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
CID 119381316
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 120805326
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 119634250
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one;hydrochloride
CID 119645502
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
2-ethoxy-N-[2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-oxoethyl]ethanesulfonamide
CID 71854144
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 119645088
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide (CID 119647948) is 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide is CCNCC1CCN(C(=O)CNS(=O)(=O)CCOCC)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The InChIKey is JCRARGWZAOMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-3-15-11-13-5-7-17(8-6-13)14(18)12-16-22(19,20)10-9-21-4-2/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide?
2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide has a molecular weight of 335.47 g/mol, XLogP of -0.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 119647948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).