N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine

C8H19N3O2S — CID 123373114

IUPACN-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCNC(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-8(9-2)10-4-6-11(7-5-10)14(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyZDFKXLDRFNHDMS-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.87
Rot. Bonds3

About N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine

N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 123373114) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID123373114
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCNC(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-8(9-2)10-4-6-11(7-5-10)14(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyZDFKXLDRFNHDMS-UHFFFAOYSA-N
XLogP-0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 170298365
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 63005080
methyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993471
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol
CID 111466276
1-iodo-4-methylsulfonylpiperazine
CID 129191929
2-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 62992791
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505701

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 123373114) is N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine is CNC(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is ZDFKXLDRFNHDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-8(9-2)10-4-6-11(7-5-10)14(3,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine?
N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 123373114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).