N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

C12H21N3O3S2 — CID 75433577

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)N2CC(C)OC(C)C2)c(C)s1
InChIInChI=1S/C12H21N3O3S2/c1-8-6-15(7-9(2)18-8)20(16,17)13-5-12-10(3)19-11(4)14-12/h8-9,13H,5-7H2,1-4H3
InChIKeyWVGRKYAGCLNPSQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.20
Rot. Bonds4

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 75433577) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID75433577
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)N2CC(C)OC(C)C2)c(C)s1
InChIInChI=1S/C12H21N3O3S2/c1-8-6-15(7-9(2)18-8)20(16,17)13-5-12-10(3)19-11(4)14-12/h8-9,13H,5-7H2,1-4H3
InChIKeyWVGRKYAGCLNPSQ-UHFFFAOYSA-N
XLogP1.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 75433577) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is Cc1nc(CNS(=O)(=O)N2CC(C)OC(C)C2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is WVGRKYAGCLNPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-8-6-15(7-9(2)18-8)20(16,17)13-5-12-10(3)19-11(4)14-12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 75433577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).