N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide

C10H21N3O3S — CID 79858894

IUPACN-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide
SMILESCN(CCS(C)(=O)=O)C(=O)CN1CCNCC1
InChIInChI=1S/C10H21N3O3S/c1-12(7-8-17(2,15)16)10(14)9-13-5-3-11-4-6-13/h11H,3-9H2,1-2H3
InChIKeyQXUXYLVYSLDPLG-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.61
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide

N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide (PubChem CID 79858894) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide
PubChem CID79858894
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide
SMILESCN(CCS(C)(=O)=O)C(=O)CN1CCNCC1
InChIInChI=1S/C10H21N3O3S/c1-12(7-8-17(2,15)16)10(14)9-13-5-3-11-4-6-13/h11H,3-9H2,1-2H3
InChIKeyQXUXYLVYSLDPLG-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

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Related Compounds

methyl 4-[methyl-(2-piperazin-1-ylacetyl)amino]butanoate
CID 54944719
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
ethyl 2-[methyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54969010
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519222

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide (CID 79858894) is N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide is CN(CCS(C)(=O)=O)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide?
The InChIKey is QXUXYLVYSLDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-12(7-8-17(2,15)16)10(14)9-13-5-3-11-4-6-13/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide?
N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide 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 N-methyl-N-(2-methylsulfonylethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 79858894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).