2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid

C14H28N2O4S — CID 65285279

IUPAC2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
SMILESCC1CCCN(S(=O)(=O)NC(C)CCCC(C)C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-11-6-5-9-16(10-11)21(19,20)15-13(3)8-4-7-12(2)14(17)18/h11-13,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyHYXVJEONRSLONS-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.83
Rot. Bonds8

About 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid

2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid (PubChem CID 65285279) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
PubChem CID65285279
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
SMILESCC1CCCN(S(=O)(=O)NC(C)CCCC(C)C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-11-6-5-9-16(10-11)21(19,20)15-13(3)8-4-7-12(2)14(17)18/h11-13,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyHYXVJEONRSLONS-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid (CID 65285279) is 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid is CC1CCCN(S(=O)(=O)NC(C)CCCC(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid?
The InChIKey is HYXVJEONRSLONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-11-6-5-9-16(10-11)21(19,20)15-13(3)8-4-7-12(2)14(17)18/h11-13,15H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid?
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid has a molecular weight of 320.46 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid is sourced from PubChem (CID 65285279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).