2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

C11H17N3O5S2 — CID 82033336

IUPAC2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1csc(NS(C)(=O)=O)n1)C(=O)O
InChIInChI=1S/C11H17N3O5S2/c1-3-4-5-7(10(16)17)12-9(15)8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKDTVJUKGDPIFOS-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.89
Rot. Bonds8

About 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (PubChem CID 82033336) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
PubChem CID82033336
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1csc(NS(C)(=O)=O)n1)C(=O)O
InChIInChI=1S/C11H17N3O5S2/c1-3-4-5-7(10(16)17)12-9(15)8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKDTVJUKGDPIFOS-UHFFFAOYSA-N
XLogP0.89
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (CID 82033336) is 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is CCCCC(NC(=O)c1csc(NS(C)(=O)=O)n1)C(=O)O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The InChIKey is KDTVJUKGDPIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-3-4-5-7(10(16)17)12-9(15)8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid has a molecular weight of 335.41 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 82033336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).