6-amino-2-(methanesulfonamido)hexanoic acid

C7H16N2O4S — CID 21263191

IUPAC6-amino-2-(methanesulfonamido)hexanoic acid
SMILESCS(=O)(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyDMTLUNPNQAZANT-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.88
Rot. Bonds7

About 6-amino-2-(methanesulfonamido)hexanoic acid

6-amino-2-(methanesulfonamido)hexanoic acid (PubChem CID 21263191) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-amino-2-(methanesulfonamido)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(methanesulfonamido)hexanoic acid
PubChem CID21263191
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name6-amino-2-(methanesulfonamido)hexanoic acid
SMILESCS(=O)(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyDMTLUNPNQAZANT-UHFFFAOYSA-N
XLogP-0.88
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-(methanesulfonamido)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(methanesulfonamido)hexanoic acid?
The IUPAC name of 6-amino-2-(methanesulfonamido)hexanoic acid (CID 21263191) is 6-amino-2-(methanesulfonamido)hexanoic acid.
What is the SMILES notation for 6-amino-2-(methanesulfonamido)hexanoic acid?
The canonical SMILES for 6-amino-2-(methanesulfonamido)hexanoic acid is CS(=O)(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(methanesulfonamido)hexanoic acid?
The InChIKey is DMTLUNPNQAZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-14(12,13)9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 6-amino-2-(methanesulfonamido)hexanoic acid?
6-amino-2-(methanesulfonamido)hexanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(methanesulfonamido)hexanoic acid is sourced from PubChem (CID 21263191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).