N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide

C11H23N3O4S — CID 119381316

IUPACN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H23N3O4S/c1-2-18-6-7-19(16,17)13-8-11(15)14-5-3-4-10(12)9-14/h10,13H,2-9,12H2,1H3
InChIKeyOKEBSBWZWQGKIV-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.11
Rot. Bonds7

About N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide (PubChem CID 119381316) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
PubChem CID119381316
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H23N3O4S/c1-2-18-6-7-19(16,17)13-8-11(15)14-5-3-4-10(12)9-14/h10,13H,2-9,12H2,1H3
InChIKeyOKEBSBWZWQGKIV-UHFFFAOYSA-N
XLogP-1.11
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.11
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-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119647948
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 119634250
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 120805326
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
CID 119377755
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
CID 119377596
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 119479631

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide (CID 119381316) is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCC(=O)N1CCCC(N)C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide?
The InChIKey is OKEBSBWZWQGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-2-18-6-7-19(16,17)13-8-11(15)14-5-3-4-10(12)9-14/h10,13H,2-9,12H2,1H3.
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide?
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 119381316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).