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

C14H26N4O4S — CID 136558071

IUPAC2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
SMILESCN1CCN(S(=O)(=O)N2CCN(C(C(=O)O)C3CC3)CC2)CC1
InChIInChI=1S/C14H26N4O4S/c1-15-4-8-17(9-5-15)23(21,22)18-10-6-16(7-11-18)13(14(19)20)12-2-3-12/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyQUQCSUFZRUKSKZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP-1.04
Rot. Bonds5

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

2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid (PubChem CID 136558071) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
PubChem CID136558071
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Name2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
SMILESCN1CCN(S(=O)(=O)N2CCN(C(C(=O)O)C3CC3)CC2)CC1
InChIInChI=1S/C14H26N4O4S/c1-15-4-8-17(9-5-15)23(21,22)18-10-6-16(7-11-18)13(14(19)20)12-2-3-12/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyQUQCSUFZRUKSKZ-UHFFFAOYSA-N
XLogP-1.04
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
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2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
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1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
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2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
CID 104575554
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
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(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
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CID 1439200

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid (CID 136558071) is 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid is CN1CCN(S(=O)(=O)N2CCN(C(C(=O)O)C3CC3)CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
The InChIKey is QUQCSUFZRUKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4S/c1-15-4-8-17(9-5-15)23(21,22)18-10-6-16(7-11-18)13(14(19)20)12-2-3-12/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid?
2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid has a molecular weight of 346.45 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 136558071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).