1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone

C10H21N3O3S — CID 54934696

IUPAC1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
SMILESCN1CCN(C(=O)CNCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-12-4-6-13(7-5-12)10(14)9-11-3-8-17(2,15)16/h11H,3-9H2,1-2H3
InChIKeyYMFUKPZLZOUIJS-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.61
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone (PubChem CID 54934696) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
PubChem CID54934696
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
SMILESCN1CCN(C(=O)CNCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-12-4-6-13(7-5-12)10(14)9-11-3-8-17(2,15)16/h11H,3-9H2,1-2H3
InChIKeyYMFUKPZLZOUIJS-UHFFFAOYSA-N
XLogP-1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.61
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

2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 103604972
1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
CID 110605960
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
CID 60915783
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone (CID 54934696) is 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone is CN1CCN(C(=O)CNCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone?
The InChIKey is YMFUKPZLZOUIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-12-4-6-13(7-5-12)10(14)9-11-3-8-17(2,15)16/h11H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone has a molecular weight of 263.36 g/mol, XLogP of -1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone is sourced from PubChem (CID 54934696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).