2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid

C14H26N2O4S — CID 83198833

IUPAC2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-14(2,13(17)18)12-7-6-10-16(11-12)21(19,20)15-8-4-3-5-9-15/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyFXEZTDDNMCEZBF-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid

2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid (PubChem CID 83198833) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid
PubChem CID83198833
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-14(2,13(17)18)12-7-6-10-16(11-12)21(19,20)15-8-4-3-5-9-15/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyFXEZTDDNMCEZBF-UHFFFAOYSA-N
XLogP1.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198043
2-methyl-2-(1-prop-2-enylsulfonylpiperidin-3-yl)propanoic acid
CID 83197883
2-[1-(benzenesulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198963
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198042
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid (CID 83198833) is 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid is CC(C)(C(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid?
The InChIKey is FXEZTDDNMCEZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-14(2,13(17)18)12-7-6-10-16(11-12)21(19,20)15-8-4-3-5-9-15/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid?
2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid has a molecular weight of 318.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 83198833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).