4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide

C8H20N4O2S — CID 28705828

IUPAC4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C8H20N4O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-9H2,1-2H3
InChIKeyFZCAHTIUYPZIPW-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.63
Rot. Bonds4

About 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 28705828) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID28705828
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C8H20N4O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-9H2,1-2H3
InChIKeyFZCAHTIUYPZIPW-UHFFFAOYSA-N
XLogP-1.63
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 28705828) is 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is FZCAHTIUYPZIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-9H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 28705828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).