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

C11H24ClN3O3S — CID 119473658

IUPACN,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-4-13(5-2)18(16,17)9-11(15)14-7-6-12-8-10(14)3;/h10,12H,4-9H2,1-3H3;1H
InChIKeyHODDATHZRGANMC-UHFFFAOYSA-N
MW313.85 g/mol
LogP-0.10
Rot. Bonds5

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

N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride (PubChem CID 119473658) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
PubChem CID119473658
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC NameN,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-4-13(5-2)18(16,17)9-11(15)14-7-6-12-8-10(14)3;/h10,12H,4-9H2,1-3H3;1H
InChIKeyHODDATHZRGANMC-UHFFFAOYSA-N
XLogP-0.10
TPSA69.72 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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 119403914
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119472033

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride (CID 119473658) is N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)N1CCNCC1C.Cl.
What is the InChIKey of N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride?
The InChIKey is HODDATHZRGANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-4-13(5-2)18(16,17)9-11(15)14-7-6-12-8-10(14)3;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride?
N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride is sourced from PubChem (CID 119473658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).