N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C9H19N3O3S — CID 27128586

IUPACN-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCNC(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-3-10-9(13)8-11-4-6-12(7-5-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13)
InChIKeyGKUOEHQNNNWCEG-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.30
Rot. Bonds4

About N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 27128586) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID27128586
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCNC(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-3-10-9(13)8-11-4-6-12(7-5-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13)
InChIKeyGKUOEHQNNNWCEG-UHFFFAOYSA-N
XLogP-1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 127697933
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbutanoic acid
CID 60950984
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
N-ethyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]acetamide
CID 37307741
2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
CID 30872696
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 27128586) is N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CCNC(=O)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is GKUOEHQNNNWCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-3-10-9(13)8-11-4-6-12(7-5-11)16(2,14)15/h3-8H2,1-2H3,(H,10,13).
What are the key properties of N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of -1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27128586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).