2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid

C11H22N4O4S — CID 119134673

IUPAC2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
SMILESCN1CCN(S(=O)(=O)N2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C11H22N4O4S/c1-12-2-6-14(7-3-12)20(18,19)15-8-4-13(5-9-15)10-11(16)17/h2-10H2,1H3,(H,16,17)
InChIKeyGMTOXVKHKMGCHU-UHFFFAOYSA-N
MW306.39 g/mol
LogP-1.82
Rot. Bonds4

About 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid

2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid (PubChem CID 119134673) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
PubChem CID119134673
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC Name2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
SMILESCN1CCN(S(=O)(=O)N2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C11H22N4O4S/c1-12-2-6-14(7-3-12)20(18,19)15-8-4-13(5-9-15)10-11(16)17/h2-10H2,1H3,(H,16,17)
InChIKeyGMTOXVKHKMGCHU-UHFFFAOYSA-N
XLogP-1.82
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[4-(2-methylsulfonylethylsulfonyl)piperazin-1-yl]acetic acid
CID 63245132
2-[4-[hydroxy(methyl)phosphanyl]-7-methyl-1,4,7-triazonan-1-yl]acetic acid
CID 177187558
2-[4,7-bis(2-hydroperoxyethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 22943955
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]acetic acid
CID 63245046
manganese;2-(11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetic acid;hydrate
CID 59908640
2-(4-methylpiperazin-1-yl)sulfonylacetic acid;hydrochloride
CID 50988500
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678
1-(4-but-2-ynylpiperazin-1-yl)sulfonyl-4-methylpiperazine
CID 71999965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid (CID 119134673) is 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid is CN1CCN(S(=O)(=O)N2CCN(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The InChIKey is GMTOXVKHKMGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-12-2-6-14(7-3-12)20(18,19)15-8-4-13(5-9-15)10-11(16)17/h2-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid has a molecular weight of 306.39 g/mol, XLogP of -1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 119134673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).