2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid

C12H24N2O4S — CID 65254899

IUPAC2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
SMILESCC(C)(CCCN1CCN(S(C)(=O)=O)CC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-12(2,11(15)16)5-4-6-13-7-9-14(10-8-13)19(3,17)18/h4-10H2,1-3H3,(H,15,16)
InChIKeyCRCXRWJQKVOHSR-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.45
Rot. Bonds6

About 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid

2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid (PubChem CID 65254899) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
PubChem CID65254899
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
SMILESCC(C)(CCCN1CCN(S(C)(=O)=O)CC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-12(2,11(15)16)5-4-6-13-7-9-14(10-8-13)19(3,17)18/h4-10H2,1-3H3,(H,15,16)
InChIKeyCRCXRWJQKVOHSR-UHFFFAOYSA-N
XLogP0.45
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
CID 79183884
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid (CID 65254899) is 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid is CC(C)(CCCN1CCN(S(C)(=O)=O)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid?
The InChIKey is CRCXRWJQKVOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,11(15)16)5-4-6-13-7-9-14(10-8-13)19(3,17)18/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid?
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 65254899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).