[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone

C15H22N2O3S — CID 110268314

IUPAC[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ccsc2)CCO1
InChIInChI=1S/C15H22N2O3S/c1-15(14(18)17-4-6-19-7-5-17)12-16(3-8-20-15)10-13-2-9-21-11-13/h2,9,11H,3-8,10,12H2,1H3
InChIKeyWYCWLJKHHZLLGQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.20
Rot. Bonds3

About [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110268314) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID110268314
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ccsc2)CCO1
InChIInChI=1S/C15H22N2O3S/c1-15(14(18)17-4-6-19-7-5-17)12-16(3-8-20-15)10-13-2-9-21-11-13/h2,9,11H,3-8,10,12H2,1H3
InChIKeyWYCWLJKHHZLLGQ-UHFFFAOYSA-N
XLogP1.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131650230
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847721
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 127247751
N,N-dimethyl-2-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747259

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone (CID 110268314) is [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone is CC1(C(=O)N2CCOCC2)CN(Cc2ccsc2)CCO1.
What is the InChIKey of [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WYCWLJKHHZLLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(14(18)17-4-6-19-7-5-17)12-16(3-8-20-15)10-13-2-9-21-11-13/h2,9,11H,3-8,10,12H2,1H3.
What are the key properties of [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 310.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110268314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).