N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C15H19N3O3S2 — CID 17406696

IUPACN-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(N3CCOCC3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O3S2/c1-17(23(2,19)20)13-5-3-12(4-6-13)14-11-22-15(16-14)18-7-9-21-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyBAOHHZAITPABOY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 17406696) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID17406696
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(N3CCOCC3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O3S2/c1-17(23(2,19)20)13-5-3-12(4-6-13)14-11-22-15(16-14)18-7-9-21-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyBAOHHZAITPABOY-UHFFFAOYSA-N
XLogP2.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 17406696) is N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is CN(c1ccc(-c2csc(N3CCOCC3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is BAOHHZAITPABOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-17(23(2,19)20)13-5-3-12(4-6-13)14-11-22-15(16-14)18-7-9-21-10-8-18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 17406696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).