N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H20N2O4S — CID 102934059

IUPACN-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)C(C)NC(=O)c2cccs2)CC(CO)O1
InChIInChI=1S/C14H20N2O4S/c1-9-6-16(7-11(8-17)20-9)14(19)10(2)15-13(18)12-4-3-5-21-12/h3-5,9-11,17H,6-8H2,1-2H3,(H,15,18)
InChIKeyLWYKYQZNXBSARO-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.47
Rot. Bonds4

About N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 102934059) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID102934059
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)C(C)NC(=O)c2cccs2)CC(CO)O1
InChIInChI=1S/C14H20N2O4S/c1-9-6-16(7-11(8-17)20-9)14(19)10(2)15-13(18)12-4-3-5-21-12/h3-5,9-11,17H,6-8H2,1-2H3,(H,15,18)
InChIKeyLWYKYQZNXBSARO-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
(3R,4R)-4-cyclopropyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979034
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159
N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154793364
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 47135814
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 102934059) is N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC1CN(C(=O)C(C)NC(=O)c2cccs2)CC(CO)O1.
What is the InChIKey of N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LWYKYQZNXBSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-6-16(7-11(8-17)20-9)14(19)10(2)15-13(18)12-4-3-5-21-12/h3-5,9-11,17H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 102934059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).