[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone

C16H18N2O2S — CID 118495754

IUPAC[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone
SMILESCNc1cc(N2CCOCC2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-17-13-11-14(18-7-9-20-10-8-18)21-16(13)15(19)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3
InChIKeyVOBKLBMMPJMFNV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.86
Rot. Bonds4

About [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone

[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone (PubChem CID 118495754) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone
PubChem CID118495754
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone
SMILESCNc1cc(N2CCOCC2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-17-13-11-14(18-7-9-20-10-8-18)21-16(13)15(19)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3
InChIKeyVOBKLBMMPJMFNV-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone (CID 118495754) is [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone is CNc1cc(N2CCOCC2)sc1C(=O)c1ccccc1.
What is the InChIKey of [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone?
The InChIKey is VOBKLBMMPJMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-13-11-14(18-7-9-20-10-8-18)21-16(13)15(19)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3.
What are the key properties of [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone?
[3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-5-morpholin-4-ylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 118495754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).