(2S)-2-amino-6-sulfamoylhexanoic acid

C6H14N2O4S — CID 11482004

IUPAC(2S)-2-amino-6-sulfamoylhexanoic acid
SMILESN[C@@H](CCCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H14N2O4S/c7-5(6(9)10)3-1-2-4-13(8,11)12/h5H,1-4,7H2,(H,9,10)(H2,8,11,12)/t5-/m0/s1
InChIKeyPRONDDAHUBCYBW-YFKPBYRVSA-N
MW210.25 g/mol
LogP-1.14
Rot. Bonds6

About (2S)-2-amino-6-sulfamoylhexanoic acid

(2S)-2-amino-6-sulfamoylhexanoic acid (PubChem CID 11482004) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-amino-6-sulfamoylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-sulfamoylhexanoic acid
PubChem CID11482004
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name(2S)-2-amino-6-sulfamoylhexanoic acid
SMILESN[C@@H](CCCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H14N2O4S/c7-5(6(9)10)3-1-2-4-13(8,11)12/h5H,1-4,7H2,(H,9,10)(H2,8,11,12)/t5-/m0/s1
InChIKeyPRONDDAHUBCYBW-YFKPBYRVSA-N
XLogP-1.14
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.14
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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-sulfamoylhexanoic acid?
The IUPAC name of (2S)-2-amino-6-sulfamoylhexanoic acid (CID 11482004) is (2S)-2-amino-6-sulfamoylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-sulfamoylhexanoic acid?
The canonical SMILES for (2S)-2-amino-6-sulfamoylhexanoic acid is N[C@@H](CCCCS(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-sulfamoylhexanoic acid?
The InChIKey is PRONDDAHUBCYBW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O4S/c7-5(6(9)10)3-1-2-4-13(8,11)12/h5H,1-4,7H2,(H,9,10)(H2,8,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-6-sulfamoylhexanoic acid?
(2S)-2-amino-6-sulfamoylhexanoic acid has a molecular weight of 210.25 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-sulfamoylhexanoic acid is sourced from PubChem (CID 11482004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).