N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H20N2O3S2 — CID 54883894

IUPACN-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H20N2O3S2/c1-4-5-6-7-8(2)13-18(15,16)10-9(3)12-11(14)17-10/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyRUGKJNMNYFMIHI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.99
Rot. Bonds7

About N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54883894) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54883894
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H20N2O3S2/c1-4-5-6-7-8(2)13-18(15,16)10-9(3)12-11(14)17-10/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyRUGKJNMNYFMIHI-UHFFFAOYSA-N
XLogP1.99
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
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 N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54883894) is N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCCCCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is RUGKJNMNYFMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-5-6-7-8(2)13-18(15,16)10-9(3)12-11(14)17-10/h8,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).