N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide

C12H25N3O4S — CID 63253090

IUPACN-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCCOCCS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H25N3O4S/c1-2-19-8-9-20(17,18)15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyWIZWLLUPWCVWCN-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.86
Rot. Bonds8

About N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide (PubChem CID 63253090) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
PubChem CID63253090
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCCOCCS(=O)(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H25N3O4S/c1-2-19-8-9-20(17,18)15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyWIZWLLUPWCVWCN-UHFFFAOYSA-N
XLogP-0.86
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.86
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-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971399
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 52508323
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide (CID 63253090) is N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide is CCOCCS(=O)(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide?
The InChIKey is WIZWLLUPWCVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-2-19-8-9-20(17,18)15-7-3-4-11(10-15)12(16)14-6-5-13/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 63253090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).