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

C10H21N3O5S — CID 61200748

IUPAC2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-3-4-5-8(9(14)15)13-10(16)11-6-7-12-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,14,15)(H2,11,13,16)
InChIKeyYGNNTQXJHFAOAH-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.52
Rot. Bonds9

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

2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid (PubChem CID 61200748) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
PubChem CID61200748
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-3-4-5-8(9(14)15)13-10(16)11-6-7-12-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,14,15)(H2,11,13,16)
InChIKeyYGNNTQXJHFAOAH-UHFFFAOYSA-N
XLogP-0.52
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 61202621
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
2-[2-(methanesulfonamido)ethylamino]hexanoic acid
CID 103239014
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-[2-(methanesulfonamido)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61201865
(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
(2S)-2-(3-methylsulfanylbutylcarbamoylamino)hexanoic acid
CID 107146570
(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid (CID 61200748) is 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid is CCCCC(NC(=O)NCCNS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
The InChIKey is YGNNTQXJHFAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-3-4-5-8(9(14)15)13-10(16)11-6-7-12-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,14,15)(H2,11,13,16).
What are the key properties of 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid?
2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 61200748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).