N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C9H21N3O2S — CID 23856907

IUPACN,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCN(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h4-9H2,1-3H3
InChIKeyJSCIDBLUBRLSBP-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.87
Rot. Bonds4

About N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 23856907) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID23856907
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCN(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h4-9H2,1-3H3
InChIKeyJSCIDBLUBRLSBP-UHFFFAOYSA-N
XLogP-0.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(methylsulfonyl)piperazine
CID 234936
1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
2-(4-Methanesulfonylpiperazin-1-yl)ethan-1-amine
CID 43252224
ethylpiperazine-N'-ethanesulphonic acid
CID 18991377
1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
1-Methylsulfonyl-4-pentan-3-ylpiperazine
CID 130370553
1-(But-3-yn-1-yl)-4-methanesulfonylpiperazine
CID 61693959
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methyl-4-methylsulfinylpiperazine
CID 23530689
1-Methylsulfonyl-4-pent-3-ynylpiperazine
CID 132284318
1-Fluoro-4-methylsulfonylpiperazine
CID 91190215
1-(1-Fluorobutan-2-yl)-4-methylsulfonylpiperazine
CID 130440345

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 23856907) is N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is CN(C)CCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is JSCIDBLUBRLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 23856907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).