2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride

C11H24ClN3O4S — CID 71782834

IUPAC2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride
SMILESCCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-3-18-10-11(15)12-4-5-13-6-8-14(9-7-13)19(2,16)17;/h3-10H2,1-2H3,(H,12,15);1H
InChIKeyDMUYBOPAVYJZMU-UHFFFAOYSA-N
MW329.85 g/mol
LogP-0.86
Rot. Bonds7

About 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride

2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride (PubChem CID 71782834) has the molecular formula C11H24ClN3O4S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride
PubChem CID71782834
Molecular FormulaC11H24ClN3O4S
Molecular Weight329.85 g/mol
Exact Mass329.12
IUPAC Name2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride
SMILESCCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-3-18-10-11(15)12-4-5-13-6-8-14(9-7-13)19(2,16)17;/h3-10H2,1-2H3,(H,12,15);1H
InChIKeyDMUYBOPAVYJZMU-UHFFFAOYSA-N
XLogP-0.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 52417108
2-(N-methylmethylsulfonamido)-N-(4-morpholinobut-2-yn-1-yl)acetamide
CID 71792713
Ethyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-2-oxoacetate
CID 45505510
N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 84358639
(2-Oxo-2-piperazin-1-ylethyl) methanesulfonate
CID 89034071
2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557080
ethane;2-methoxy-N-[2-[2-(4-sulfanylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557147
N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
CID 164557290
ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
CID 164557341
N-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 167136350
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 167136480
ethane;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
CID 170639056

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride (CID 71782834) is 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride is CCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride?
The InChIKey is DMUYBOPAVYJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S.ClH/c1-3-18-10-11(15)12-4-5-13-6-8-14(9-7-13)19(2,16)17;/h3-10H2,1-2H3,(H,12,15);1H.
What are the key properties of 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride?
2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of -0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 71782834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).