2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid

C12H25NO4S — CID 65285332

IUPAC2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
SMILESCC(C)CS(=O)(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C12H25NO4S/c1-9(2)8-18(16,17)13-11(4)7-5-6-10(3)12(14)15/h9-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLVXGGHMJIYEBRD-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.84
Rot. Bonds9

About 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid

2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid (PubChem CID 65285332) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
PubChem CID65285332
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
SMILESCC(C)CS(=O)(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C12H25NO4S/c1-9(2)8-18(16,17)13-11(4)7-5-6-10(3)12(14)15/h9-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLVXGGHMJIYEBRD-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
2-methyl-6-(2,2,2-trifluoroethylsulfamoylamino)heptanoic acid
CID 114806412
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
6-(but-2-ynoylamino)-2-methylheptanoic acid
CID 107986770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid (CID 65285332) is 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid is CC(C)CS(=O)(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid?
The InChIKey is LVXGGHMJIYEBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-9(2)8-18(16,17)13-11(4)7-5-6-10(3)12(14)15/h9-11,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid?
2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid has a molecular weight of 279.40 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid is sourced from PubChem (CID 65285332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).