7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid

C11H18N2O5S2 — CID 43244912

IUPAC7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H18N2O5S2/c1-8-10(19-11(16)13-8)20(17,18)12-7-5-3-2-4-6-9(14)15/h12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyBVHQCSJRVDBTLJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.06
Rot. Bonds9

About 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid

7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid (PubChem CID 43244912) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
PubChem CID43244912
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H18N2O5S2/c1-8-10(19-11(16)13-8)20(17,18)12-7-5-3-2-4-6-9(14)15/h12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyBVHQCSJRVDBTLJ-UHFFFAOYSA-N
XLogP1.06
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
CID 43423054
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
CID 79395251
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
N-hex-5-ynyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106213763
4-methyl-2-oxo-N-pent-4-ynyl-3H-1,3-thiazole-5-sulfonamide
CID 106222743
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 43607055
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid?
The IUPAC name of 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid (CID 43244912) is 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid.
What is the SMILES notation for 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid?
The canonical SMILES for 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid?
The InChIKey is BVHQCSJRVDBTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-8-10(19-11(16)13-8)20(17,18)12-7-5-3-2-4-6-9(14)15/h12H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid?
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid has a molecular weight of 322.41 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid is sourced from PubChem (CID 43244912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).