3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid

C10H20N2O4S — CID 64670988

IUPAC3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,8-9(13)14)11-17(15,16)12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyZWBMARWRJGOZAN-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds5

About 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid

3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid (PubChem CID 64670988) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid
PubChem CID64670988
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,8-9(13)14)11-17(15,16)12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyZWBMARWRJGOZAN-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 81065565
3-[(4-Methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28783564
3-(Piperidin-1-ylsulfonylamino)propanoic acid
CID 28783567
4-[(4-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28783609
(2R)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28784006
(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28784010
(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 28784012
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 28784016
3-[(3,5-Dimethylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 43172774
4-[(3,5-Dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43172783
3-[(3,5-Dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43172961
3-[(4-Methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 43173163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid (CID 64670988) is 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid is CC(C)(CC(=O)O)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is ZWBMARWRJGOZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,8-9(13)14)11-17(15,16)12-6-4-3-5-7-12/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid?
3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 64670988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).