N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H16N2O4S2 — CID 55140676

IUPACN-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O4S2/c1-7-8(16-9(12)10-7)17(13,14)11(2)5-4-6-15-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyMFYFYJFVYFHCKY-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.40
Rot. Bonds6

About N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 55140676) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID55140676
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC NameN-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O4S2/c1-7-8(16-9(12)10-7)17(13,14)11(2)5-4-6-15-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyMFYFYJFVYFHCKY-UHFFFAOYSA-N
XLogP0.40
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 55140676) is N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is COCCCN(C)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MFYFYJFVYFHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-7-8(16-9(12)10-7)17(13,14)11(2)5-4-6-15-3/h4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55140676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).