4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C8H15N3O3S2 — CID 43605920

IUPAC4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCNCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C8H15N3O3S2/c1-6-7(15-8(12)11-6)16(13,14)10-5-3-4-9-2/h9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyHULSTVSQGVZFPF-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.37
Rot. Bonds6

About 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43605920) has the molecular formula C8H15N3O3S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43605920
Molecular FormulaC8H15N3O3S2
Molecular Weight265.36 g/mol
Exact Mass265.06
IUPAC Name4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCNCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C8H15N3O3S2/c1-6-7(15-8(12)11-6)16(13,14)10-5-3-4-9-2/h9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyHULSTVSQGVZFPF-UHFFFAOYSA-N
XLogP-0.37
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.37
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43605920) is 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is CNCCCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is HULSTVSQGVZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S2/c1-6-7(15-8(12)11-6)16(13,14)10-5-3-4-9-2/h9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 265.36 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43605920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).