2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid

C13H25N3O5S — CID 146134852

IUPAC2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O5S/c1-2-3-12(13(17)18)14-4-6-15(7-5-14)22(19,20)16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,17,18)
InChIKeyPYLDWYNNPSZWPU-UHFFFAOYSA-N
MW335.43 g/mol
LogP-0.57
Rot. Bonds6

About 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid

2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid (PubChem CID 146134852) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid
PubChem CID146134852
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O5S/c1-2-3-12(13(17)18)14-4-6-15(7-5-14)22(19,20)16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,17,18)
InChIKeyPYLDWYNNPSZWPU-UHFFFAOYSA-N
XLogP-0.57
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yldecanoic acid
CID 57259608
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-(4-benzylsulfonylpiperazin-1-yl)pentanoic acid
CID 146134814
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951
4-morpholin-4-ylsulfonyl-N,N-dipropylpiperazine-1-sulfonamide
CID 55627166
2-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylpiperazin-1-yl]hexanoic acid
CID 154767021
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid (CID 146134852) is 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid?
The InChIKey is PYLDWYNNPSZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S/c1-2-3-12(13(17)18)14-4-6-15(7-5-14)22(19,20)16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid?
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid has a molecular weight of 335.43 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 146134852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).