2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide

C10H19N3O5S — CID 136530059

IUPAC2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H19N3O5S/c1-11(2)19(17,18)8-10(16)13-5-3-12(4-6-13)9(15)7-14/h14H,3-8H2,1-2H3
InChIKeyKDSXSKPHNUQVFP-UHFFFAOYSA-N
MW293.34 g/mol
LogP-2.46
Rot. Bonds4

About 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide

2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide (PubChem CID 136530059) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
PubChem CID136530059
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H19N3O5S/c1-11(2)19(17,18)8-10(16)13-5-3-12(4-6-13)9(15)7-14/h14H,3-8H2,1-2H3
InChIKeyKDSXSKPHNUQVFP-UHFFFAOYSA-N
XLogP-2.46
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
1-[4-(3-Fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
CID 75443853
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]ethanesulfonic acid
CID 21111043
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
[2-(4-Methylpiperazin-1-yl)-2-oxoethyl] methanesulfonate
CID 58168392
1-[2-[2-(Dimethylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazepan-5-yl]-2-hydroxyethanone
CID 58679187
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethanesulfonic acid
CID 88371387
[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pentane-1-sulfonate
CID 88712670
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318
1-[2-[2-(Dimethylamino)ethyl]-1,1-dihydroxy-1-oxo-1,2,5-thiadiazepan-5-yl]-2-hydroxyethanone
CID 90772938
Ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid
CID 175358650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide (CID 136530059) is 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide is CN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The InChIKey is KDSXSKPHNUQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-11(2)19(17,18)8-10(16)13-5-3-12(4-6-13)9(15)7-14/h14H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide has a molecular weight of 293.34 g/mol, XLogP of -2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide is sourced from PubChem (CID 136530059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).