N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide

C11H19N3O3S2 — CID 122566857

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
SMILESCCc1nc(C)c(CNS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C11H19N3O3S2/c1-3-11-13-9(2)10(18-11)8-12-19(15,16)14-4-6-17-7-5-14/h12H,3-8H2,1-2H3
InChIKeyYLMBTDYTANRHCD-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.68
Rot. Bonds5

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide (PubChem CID 122566857) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
PubChem CID122566857
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
SMILESCCc1nc(C)c(CNS(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C11H19N3O3S2/c1-3-11-13-9(2)10(18-11)8-12-19(15,16)14-4-6-17-7-5-14/h12H,3-8H2,1-2H3
InChIKeyYLMBTDYTANRHCD-UHFFFAOYSA-N
XLogP0.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide (CID 122566857) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide is CCc1nc(C)c(CNS(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is YLMBTDYTANRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-3-11-13-9(2)10(18-11)8-12-19(15,16)14-4-6-17-7-5-14/h12H,3-8H2,1-2H3.
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 122566857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).