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

C11H21N3O3S2 — CID 102995737

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H21N3O3S2/c1-5-14(8-6-7-13(3)4)19(16,17)10-9(2)12-11(15)18-10/h5-8H2,1-4H3,(H,12,15)
InChIKeyTWRHDDKBPOYKLC-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.71
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 102995737) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID102995737
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H21N3O3S2/c1-5-14(8-6-7-13(3)4)19(16,17)10-9(2)12-11(15)18-10/h5-8H2,1-4H3,(H,12,15)
InChIKeyTWRHDDKBPOYKLC-UHFFFAOYSA-N
XLogP0.71
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 102995737) is N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is TWRHDDKBPOYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-5-14(8-6-7-13(3)4)19(16,17)10-9(2)12-11(15)18-10/h5-8H2,1-4H3,(H,12,15).
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 307.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 102995737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).