2-[2-(methanesulfonamido)ethylamino]hexanoic acid

C9H20N2O4S — CID 103239014

IUPAC2-[2-(methanesulfonamido)ethylamino]hexanoic acid
SMILESCCCCC(NCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-4-5-8(9(12)13)10-6-7-11-16(2,14)15/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyPZHKIQQAVRKVGQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.23
Rot. Bonds9

About 2-[2-(methanesulfonamido)ethylamino]hexanoic acid

2-[2-(methanesulfonamido)ethylamino]hexanoic acid (PubChem CID 103239014) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]hexanoic acid
PubChem CID103239014
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[2-(methanesulfonamido)ethylamino]hexanoic acid
SMILESCCCCC(NCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-4-5-8(9(12)13)10-6-7-11-16(2,14)15/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyPZHKIQQAVRKVGQ-UHFFFAOYSA-N
XLogP-0.23
TPSA95.50 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 ≤ 5-0.23
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

2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
CID 61200748
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(dodecylamino)hexanoic acid
CID 139637216
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-(6-methylheptylamino)hexanoic acid
CID 150739984
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]hexanoic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]hexanoic acid (CID 103239014) is 2-[2-(methanesulfonamido)ethylamino]hexanoic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]hexanoic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]hexanoic acid is CCCCC(NCCNS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]hexanoic acid?
The InChIKey is PZHKIQQAVRKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-4-5-8(9(12)13)10-6-7-11-16(2,14)15/h8,10-11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]hexanoic acid?
2-[2-(methanesulfonamido)ethylamino]hexanoic acid has a molecular weight of 252.34 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]hexanoic acid is sourced from PubChem (CID 103239014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).