sulfamoyl 2,6-diaminohexanoate

C6H15N3O4S — CID 139888563

IUPACsulfamoyl 2,6-diaminohexanoate
SMILESNCCCCC(N)C(=O)OS(N)(=O)=O
InChIInChI=1S/C6H15N3O4S/c7-4-2-1-3-5(8)6(10)13-14(9,11)12/h5H,1-4,7-8H2,(H2,9,11,12)
InChIKeyBFDFNHVIRIVGCH-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.81
Rot. Bonds6

About sulfamoyl 2,6-diaminohexanoate

sulfamoyl 2,6-diaminohexanoate (PubChem CID 139888563) has the molecular formula C6H15N3O4S and a molecular weight of 225.27 g/mol. Its IUPAC name is sulfamoyl 2,6-diaminohexanoate.

Molecular Properties

Compound Namesulfamoyl 2,6-diaminohexanoate
PubChem CID139888563
Molecular FormulaC6H15N3O4S
Molecular Weight225.27 g/mol
Exact Mass225.08
IUPAC Namesulfamoyl 2,6-diaminohexanoate
SMILESNCCCCC(N)C(=O)OS(N)(=O)=O
InChIInChI=1S/C6H15N3O4S/c7-4-2-1-3-5(8)6(10)13-14(9,11)12/h5H,1-4,7-8H2,(H2,9,11,12)
InChIKeyBFDFNHVIRIVGCH-UHFFFAOYSA-N
XLogP-1.81
TPSA138.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

amino (2S)-2,6-diaminohexanoate
CID 18651785
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
lithium (2S)-2,6-diaminohexanoate
CID 87930747
dihydroxysilyl 2,6-diaminohexanoate
CID 173078416
disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
formyl (2S)-2,6-diaminohexanoate
CID 57195999
1,6-diaminohexyl (2S)-2,6-diaminohexanoate
CID 57063543
dihydroxysilyl (2S)-2,6-diaminohexanoate
CID 123678119
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of sulfamoyl 2,6-diaminohexanoate?
The IUPAC name of sulfamoyl 2,6-diaminohexanoate (CID 139888563) is sulfamoyl 2,6-diaminohexanoate.
What is the SMILES notation for sulfamoyl 2,6-diaminohexanoate?
The canonical SMILES for sulfamoyl 2,6-diaminohexanoate is NCCCCC(N)C(=O)OS(N)(=O)=O.
What is the InChIKey of sulfamoyl 2,6-diaminohexanoate?
The InChIKey is BFDFNHVIRIVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(8)6(10)13-14(9,11)12/h5H,1-4,7-8H2,(H2,9,11,12).
What are the key properties of sulfamoyl 2,6-diaminohexanoate?
sulfamoyl 2,6-diaminohexanoate has a molecular weight of 225.27 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl 2,6-diaminohexanoate is sourced from PubChem (CID 139888563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).