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

C10H21N3O4S — CID 27129107

IUPACN-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCOCCNC(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-8-3-11-10(14)9-12-4-6-13(7-5-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyQZDKPANIEQUIDP-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.67
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 27129107) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID27129107
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCOCCNC(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-8-3-11-10(14)9-12-4-6-13(7-5-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyQZDKPANIEQUIDP-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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 127697933
2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 95142904
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 28507598
N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119836390

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 27129107) is N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is COCCNC(=O)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is QZDKPANIEQUIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-17-8-3-11-10(14)9-12-4-6-13(7-5-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)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 N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).