2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide

C10H21N3O4S — CID 47445451

IUPAC2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9-10(14)11-3-4-12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyNENKICKPNZZUBI-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.67
Rot. Bonds6

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

2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 47445451) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID47445451
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9-10(14)11-3-4-12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyNENKICKPNZZUBI-UHFFFAOYSA-N
XLogP-1.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 47445451) is 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is COCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is NENKICKPNZZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-17-9-10(14)11-3-4-12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14).
What are the key properties of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of -1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 47445451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).