4-methyl-6-(2-sulfamoylethylamino)hexanoic acid

C9H20N2O4S — CID 114385390

IUPAC4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
SMILESCC(CCNCCS(N)(=O)=O)CCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-8(2-3-9(12)13)4-5-11-6-7-16(10,14)15/h8,11H,2-7H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyHQWXQXQVISKAQF-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.24
Rot. Bonds9

About 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid

4-methyl-6-(2-sulfamoylethylamino)hexanoic acid (PubChem CID 114385390) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
PubChem CID114385390
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
SMILESCC(CCNCCS(N)(=O)=O)CCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-8(2-3-9(12)13)4-5-11-6-7-16(10,14)15/h8,11H,2-7H2,1H3,(H,12,13)(H2,10,14,15)
InChIKeyHQWXQXQVISKAQF-UHFFFAOYSA-N
XLogP-0.24
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
2-(3-methylsulfanylbutylamino)ethanesulfonamide
CID 114385215
6-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65287399
6-[(3-cyano-3-methylbutyl)amino]-4-methylhexanoic acid
CID 65287350
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
4-methyl-6-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]hexanoic acid
CID 65287842
6-(5-carboxy-3-methylpentoxy)-4-methylhexanoic acid
CID 87319600
6-[[2-(butylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289945
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
CID 104903554
4-methyl-6-[(1-methylsulfonylpiperidin-3-yl)methylamino]hexanoic acid
CID 79610716

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid?
The IUPAC name of 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid (CID 114385390) is 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid.
What is the SMILES notation for 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid?
The canonical SMILES for 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid is CC(CCNCCS(N)(=O)=O)CCC(=O)O.
What is the InChIKey of 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid?
The InChIKey is HQWXQXQVISKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2-3-9(12)13)4-5-11-6-7-16(10,14)15/h8,11H,2-7H2,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid?
4-methyl-6-(2-sulfamoylethylamino)hexanoic acid has a molecular weight of 252.34 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-sulfamoylethylamino)hexanoic acid is sourced from PubChem (CID 114385390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).