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

C10H22N2O4S — CID 114385392

IUPAC2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(10(13)14)4-3-5-9(2)12-6-7-17(11,15)16/h8-9,12H,3-7H2,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyQANIQNLMUIPSPB-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.14
Rot. Bonds9

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

2-methyl-6-(2-sulfamoylethylamino)heptanoic acid (PubChem CID 114385392) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
PubChem CID114385392
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(10(13)14)4-3-5-9(2)12-6-7-17(11,15)16/h8-9,12H,3-7H2,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyQANIQNLMUIPSPB-UHFFFAOYSA-N
XLogP0.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-sulfamoylpropylcarbamoylamino)heptanoic acid
CID 65287573
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
3-(2-sulfamoylethylamino)butanamide
CID 114385219
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
CID 114385225
2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
CID 65285332
2-(2-sulfamoylethylamino)propanamide
CID 114384800
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
CID 65289085
6-(3-chloroprop-2-enylamino)-2-methylheptanoic acid
CID 77064604
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid (CID 114385392) is 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NCCS(N)(=O)=O.
What is the InChIKey of 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid?
The InChIKey is QANIQNLMUIPSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(10(13)14)4-3-5-9(2)12-6-7-17(11,15)16/h8-9,12H,3-7H2,1-2H3,(H,13,14)(H2,11,15,16).
What are the key properties of 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid?
2-methyl-6-(2-sulfamoylethylamino)heptanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-sulfamoylethylamino)heptanoic acid is sourced from PubChem (CID 114385392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).