1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone

C13H20N2O2S — CID 71785978

IUPAC1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(C)CC1COCCN1C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-14(2)9-11-10-17-6-5-15(11)13(16)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyMGMRVRUWEWTCHY-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.08
Rot. Bonds4

About 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71785978) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71785978
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(C)CC1COCCN1C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-14(2)9-11-10-17-6-5-15(11)13(16)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyMGMRVRUWEWTCHY-UHFFFAOYSA-N
XLogP1.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71785978) is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CN(C)CC1COCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is MGMRVRUWEWTCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14(2)9-11-10-17-6-5-15(11)13(16)8-12-4-3-7-18-12/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 268.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71785978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).