ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen

C14H33N3O5S — CID 164557341

IUPACethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCC.COCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C12H25N3O5S.C2H6.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;1-2;/h3-11H2,1-2H3,(H,13,16);1-2H3;1H
InChIKeyRZXYOKRBQXIPMK-UHFFFAOYSA-N
MW355.50 g/mol
LogP-0.38
Rot. Bonds9

About ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen

ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen (PubChem CID 164557341) has the molecular formula C14H33N3O5S and a molecular weight of 355.50 g/mol. Its IUPAC name is ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
PubChem CID164557341
Molecular FormulaC14H33N3O5S
Molecular Weight355.50 g/mol
Exact Mass355.21
IUPAC Nameethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCC.COCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C12H25N3O5S.C2H6.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;1-2;/h3-11H2,1-2H3,(H,13,16);1-2H3;1H
InChIKeyRZXYOKRBQXIPMK-UHFFFAOYSA-N
XLogP-0.38
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 52417108
Ethyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-2-oxoacetate
CID 45505510
2-(N-methylmethylsulfonamido)-N-(4-morpholinobut-2-yn-1-yl)acetamide
CID 71792713
N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 84358639
(2-Oxo-2-piperazin-1-ylethyl) methanesulfonate
CID 89034071
ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
CID 145385419
2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164556926
2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 164557065
2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557080
4-[2-[2-[2-[2-[2-[(2-Ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-sulfinate;molecular hydrogen
CID 164557108
ethane;2-methoxy-N-[2-[2-[2-[2-(4-sulfanylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557128
ethane;2-methoxy-N-[2-[2-(4-sulfanylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557147

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen (CID 164557341) is ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen is CC.COCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H].
What is the InChIKey of ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The InChIKey is RZXYOKRBQXIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5S.C2H6.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;1-2;/h3-11H2,1-2H3,(H,13,16);1-2H3;1H.
What are the key properties of ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen has a molecular weight of 355.50 g/mol, XLogP of -0.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 164557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).