(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone

C17H19NO2S — CID 110644128

IUPAC(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CC(Cc2ccccc2)O1
InChIInChI=1S/C17H19NO2S/c1-13-11-18(17(19)16-8-5-9-21-16)12-15(20-13)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3
InChIKeyIZQWANQKVBSDLN-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.22
Rot. Bonds3

About (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone

(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone (PubChem CID 110644128) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
PubChem CID110644128
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CC(Cc2ccccc2)O1
InChIInChI=1S/C17H19NO2S/c1-13-11-18(17(19)16-8-5-9-21-16)12-15(20-13)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3
InChIKeyIZQWANQKVBSDLN-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
1,3-benzodioxol-5-yl-(2-benzyl-6-methylmorpholin-4-yl)methanone
CID 110644171
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110644164
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone (CID 110644128) is (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)CC(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is IZQWANQKVBSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-11-18(17(19)16-8-5-9-21-16)12-15(20-13)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3.
What are the key properties of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 301.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110644128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).