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

C12H27N3O5S — CID 170639660

IUPAC2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCOCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C12H25N3O5S.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H
InChIKeyOBNFJJFPBRZIOZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP-1.41
Rot. Bonds9

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

2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen (PubChem CID 170639660) has the molecular formula C12H27N3O5S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
PubChem CID170639660
Molecular FormulaC12H27N3O5S
Molecular Weight325.43 g/mol
Exact Mass325.17
IUPAC Name2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
SMILESCOCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H]
InChIInChI=1S/C12H25N3O5S.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H
InChIKeyOBNFJJFPBRZIOZ-UHFFFAOYSA-N
XLogP-1.41
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-1.41
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen (CID 170639660) is 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen is COCC(=O)NCCOCCN1CCN(S(C)(=O)=O)CC1.[H][H].
What is the InChIKey of 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
The InChIKey is OBNFJJFPBRZIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5S.H2/c1-19-11-12(16)13-3-9-20-10-8-14-4-6-15(7-5-14)21(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H.
What are the key properties of 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen?
2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen has a molecular weight of 325.43 g/mol, XLogP of -1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 170639660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).