2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide

C11H16N2O2S — CID 110268312

IUPAC2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(Cc2ccsc2)CCO1
InChIInChI=1S/C11H16N2O2S/c1-11(10(12)14)8-13(3-4-15-11)6-9-2-5-16-7-9/h2,5,7H,3-4,6,8H2,1H3,(H2,12,14)
InChIKeyXCNFTRUDTUDRNE-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.82
Rot. Bonds3

About 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide

2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 110268312) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
PubChem CID110268312
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(Cc2ccsc2)CCO1
InChIInChI=1S/C11H16N2O2S/c1-11(10(12)14)8-13(3-4-15-11)6-9-2-5-16-7-9/h2,5,7H,3-4,6,8H2,1H3,(H2,12,14)
InChIKeyXCNFTRUDTUDRNE-UHFFFAOYSA-N
XLogP0.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268314
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131650230
(2R)-2-methyl-4-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 95839767
N,N-dimethyl-2-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747259
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847721
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124803392
2-(2-fluorophenyl)-1-[4-(thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131889584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide (CID 110268312) is 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide is CC1(C(N)=O)CN(Cc2ccsc2)CCO1.
What is the InChIKey of 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is XCNFTRUDTUDRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(10(12)14)8-13(3-4-15-11)6-9-2-5-16-7-9/h2,5,7H,3-4,6,8H2,1H3,(H2,12,14).
What are the key properties of 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide?
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 110268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).