3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

C12H20N4O5S2 — CID 131963807

IUPAC3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCOCc1csc(NC(=O)N2CCOCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O5S2/c1-20-6-9-8-22-11(14-9)15-12(17)16-3-4-21-7-10(16)5-13-23(2,18)19/h8,10,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJRKHVZHAHWRELR-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.07
Rot. Bonds6

About 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (PubChem CID 131963807) has the molecular formula C12H20N4O5S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
PubChem CID131963807
Molecular FormulaC12H20N4O5S2
Molecular Weight364.45 g/mol
Exact Mass364.09
IUPAC Name3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCOCc1csc(NC(=O)N2CCOCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O5S2/c1-20-6-9-8-22-11(14-9)15-12(17)16-3-4-21-7-10(16)5-13-23(2,18)19/h8,10,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJRKHVZHAHWRELR-UHFFFAOYSA-N
XLogP0.07
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (CID 131963807) is 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is COCc1csc(NC(=O)N2CCOCC2CNS(C)(=O)=O)n1.
What is the InChIKey of 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is JRKHVZHAHWRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5S2/c1-20-6-9-8-22-11(14-9)15-12(17)16-3-4-21-7-10(16)5-13-23(2,18)19/h8,10,13H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 131963807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).