2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide

C8H20N4O2S — CID 83026101

IUPAC2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H20N4O2S/c1-9-3-8-15(13,14)10-12-6-4-11(2)5-7-12/h9-10H,3-8H2,1-2H3
InChIKeyPRIUFDWQABFYSK-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.71
Rot. Bonds5

About 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide

2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide (PubChem CID 83026101) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide
PubChem CID83026101
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H20N4O2S/c1-9-3-8-15(13,14)10-12-6-4-11(2)5-7-12/h9-10H,3-8H2,1-2H3
InChIKeyPRIUFDWQABFYSK-UHFFFAOYSA-N
XLogP-1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide (CID 83026101) is 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide is CNCCS(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide?
The InChIKey is PRIUFDWQABFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-9-3-8-15(13,14)10-12-6-4-11(2)5-7-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide?
2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide is sourced from PubChem (CID 83026101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).