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

C12H21N3O3S2 — CID 47319924

IUPACN,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H21N3O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(4)8-12-5-13-11(3)19-12/h5,9-10H,6-8H2,1-4H3
InChIKeyAFNUMIOZPTYMTL-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.24
Rot. Bonds4

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

N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide (PubChem CID 47319924) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
PubChem CID47319924
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H21N3O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(4)8-12-5-13-11(3)19-12/h5,9-10H,6-8H2,1-4H3
InChIKeyAFNUMIOZPTYMTL-UHFFFAOYSA-N
XLogP1.24
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide (CID 47319924) is N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide is Cc1ncc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)s1.
What is the InChIKey of N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is AFNUMIOZPTYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(4)8-12-5-13-11(3)19-12/h5,9-10H,6-8H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide?
N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 47319924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).