6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid

C10H21N3O5S — CID 61201303

IUPAC6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H21N3O5S/c1-19(17,18)13-8-7-12-10(16)11-6-4-2-3-5-9(14)15/h13H,2-8H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyACRPUSIJCSOMOI-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.52
Rot. Bonds10

About 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid

6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid (PubChem CID 61201303) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
PubChem CID61201303
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H21N3O5S/c1-19(17,18)13-8-7-12-10(16)11-6-4-2-3-5-9(14)15/h13H,2-8H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyACRPUSIJCSOMOI-UHFFFAOYSA-N
XLogP-0.52
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid (CID 61201303) is 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid is CS(=O)(=O)NCCNC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The InChIKey is ACRPUSIJCSOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-19(17,18)13-8-7-12-10(16)11-6-4-2-3-5-9(14)15/h13H,2-8H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.52, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 61201303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).