[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone

C19H21NO2S — CID 126775057

IUPAC[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
SMILESCc1ccccc1C1(C(=O)N2CCOC(c3ccsc3)C2)CC1
InChIInChI=1S/C19H21NO2S/c1-14-4-2-3-5-16(14)19(7-8-19)18(21)20-9-10-22-17(12-20)15-6-11-23-13-15/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyTZYWEZBWCNXBQK-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.69
Rot. Bonds3

About [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone

[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone (PubChem CID 126775057) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
PubChem CID126775057
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
SMILESCc1ccccc1C1(C(=O)N2CCOC(c3ccsc3)C2)CC1
InChIInChI=1S/C19H21NO2S/c1-14-4-2-3-5-16(14)19(7-8-19)18(21)20-9-10-22-17(12-20)15-6-11-23-13-15/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyTZYWEZBWCNXBQK-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 120533579

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone?
The IUPAC name of [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone (CID 126775057) is [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone is Cc1ccccc1C1(C(=O)N2CCOC(c3ccsc3)C2)CC1.
What is the InChIKey of [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone?
The InChIKey is TZYWEZBWCNXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14-4-2-3-5-16(14)19(7-8-19)18(21)20-9-10-22-17(12-20)15-6-11-23-13-15/h2-6,11,13,17H,7-10,12H2,1H3.
What are the key properties of [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone?
[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone has a molecular weight of 327.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 126775057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).