N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

C11H17N3O5S2 — CID 138025273

IUPACN-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCOc1cnc(NC(=O)N2CCOC(CS(C)(=O)=O)C2)s1
InChIInChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15)
InChIKeyRJXPPYAZLVOLJN-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.43
Rot. Bonds4

About N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (PubChem CID 138025273) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
PubChem CID138025273
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC NameN-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCOc1cnc(NC(=O)N2CCOC(CS(C)(=O)=O)C2)s1
InChIInChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15)
InChIKeyRJXPPYAZLVOLJN-UHFFFAOYSA-N
XLogP0.43
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (CID 138025273) is N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is COc1cnc(NC(=O)N2CCOC(CS(C)(=O)=O)C2)s1.
What is the InChIKey of N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The InChIKey is RJXPPYAZLVOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15).
What are the key properties of N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 138025273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).