2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride

C11H24ClN3O3S — CID 119381858

IUPAC2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-3-14(4-2)18(16,17)9-11(15)13-7-5-6-10(12)8-13;/h10H,3-9,12H2,1-2H3;1H
InChIKeyDWTXBOTUUBIWKP-UHFFFAOYSA-N
MW313.85 g/mol
LogP0.03
Rot. Bonds5

About 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride

2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride (PubChem CID 119381858) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
PubChem CID119381858
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC Name2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-3-14(4-2)18(16,17)9-11(15)13-7-5-6-10(12)8-13;/h10H,3-9,12H2,1-2H3;1H
InChIKeyDWTXBOTUUBIWKP-UHFFFAOYSA-N
XLogP0.03
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
CID 119493899
1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
CID 119377755
3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
CID 119377596
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 119403914
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride (CID 119381858) is 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride?
The InChIKey is DWTXBOTUUBIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-3-14(4-2)18(16,17)9-11(15)13-7-5-6-10(12)8-13;/h10H,3-9,12H2,1-2H3;1H.
What are the key properties of 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride?
2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride is sourced from PubChem (CID 119381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).