2-(2-methylpiperazin-1-yl)ethanesulfonamide

C7H17N3O2S — CID 114385448

IUPAC2-(2-methylpiperazin-1-yl)ethanesulfonamide
SMILESCC1CNCCN1CCS(N)(=O)=O
InChIInChI=1S/C7H17N3O2S/c1-7-6-9-2-3-10(7)4-5-13(8,11)12/h7,9H,2-6H2,1H3,(H2,8,11,12)
InChIKeyWBIOPLVRYXWYLJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.43
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)ethanesulfonamide

2-(2-methylpiperazin-1-yl)ethanesulfonamide (PubChem CID 114385448) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)ethanesulfonamide
PubChem CID114385448
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(2-methylpiperazin-1-yl)ethanesulfonamide
SMILESCC1CNCCN1CCS(N)(=O)=O
InChIInChI=1S/C7H17N3O2S/c1-7-6-9-2-3-10(7)4-5-13(8,11)12/h7,9H,2-6H2,1H3,(H2,8,11,12)
InChIKeyWBIOPLVRYXWYLJ-UHFFFAOYSA-N
XLogP-1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
2-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 103815391
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
4-[2-[(2S)-2-methylpiperazin-1-yl]ethylsulfonyl]benzonitrile
CID 82755904
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2-piperazin-1-ylethanesulfonamide
CID 54595802
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)ethanesulfonamide?
The IUPAC name of 2-(2-methylpiperazin-1-yl)ethanesulfonamide (CID 114385448) is 2-(2-methylpiperazin-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)ethanesulfonamide is CC1CNCCN1CCS(N)(=O)=O.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)ethanesulfonamide?
The InChIKey is WBIOPLVRYXWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-7-6-9-2-3-10(7)4-5-13(8,11)12/h7,9H,2-6H2,1H3,(H2,8,11,12).
What are the key properties of 2-(2-methylpiperazin-1-yl)ethanesulfonamide?
2-(2-methylpiperazin-1-yl)ethanesulfonamide has a molecular weight of 207.30 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)ethanesulfonamide is sourced from PubChem (CID 114385448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).