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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Related Compounds

4-(2,2-difluoroethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71991756
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75374620
N-(1-methoxypropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 45829843
N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47248414
1-(4-Methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
CID 127575170
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194288
1-[4-(Methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 75535588
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94029949
N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94029950
4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 100669872
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 121547027
(9aR)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124256172

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).