[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone

C15H18N2O2S — CID 86794107

IUPAC[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCOCC1c1cccn1C
InChIInChI=1S/C15H18N2O2S/c1-11-5-9-20-14(11)15(18)17-7-8-19-10-13(17)12-4-3-6-16(12)2/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyLIUUPWORXODMQZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.61
Rot. Bonds2

About [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone

[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 86794107) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID86794107
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCOCC1c1cccn1C
InChIInChI=1S/C15H18N2O2S/c1-11-5-9-20-14(11)15(18)17-7-8-19-10-13(17)12-4-3-6-16(12)2/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyLIUUPWORXODMQZ-UHFFFAOYSA-N
XLogP2.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone (CID 86794107) is [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCOCC1c1cccn1C.
What is the InChIKey of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is LIUUPWORXODMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-9-20-14(11)15(18)17-7-8-19-10-13(17)12-4-3-6-16(12)2/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone?
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 86794107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).