2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide

C10H17N3O3S2 — CID 49458371

IUPAC2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCc2cscn2)CC(C)O1
InChIInChI=1S/C10H17N3O3S2/c1-8-4-13(5-9(2)16-8)18(14,15)12-3-10-6-17-7-11-10/h6-9,12H,3-5H2,1-2H3
InChIKeyNIXQTNAQMLEWTK-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.59
Rot. Bonds4

About 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide

2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide (PubChem CID 49458371) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide
PubChem CID49458371
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCc2cscn2)CC(C)O1
InChIInChI=1S/C10H17N3O3S2/c1-8-4-13(5-9(2)16-8)18(14,15)12-3-10-6-17-7-11-10/h6-9,12H,3-5H2,1-2H3
InChIKeyNIXQTNAQMLEWTK-UHFFFAOYSA-N
XLogP0.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide (CID 49458371) is 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCc2cscn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is NIXQTNAQMLEWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-8-4-13(5-9(2)16-8)18(14,15)12-3-10-6-17-7-11-10/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide?
2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 49458371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).