[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone

C16H22N2OS — CID 82908300

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C16H22N2OS/c1-12-5-2-3-6-13(12)15-7-4-9-18(15)16(19)14-11-20-10-8-17-14/h2-3,5-6,14-15,17H,4,7-11H2,1H3
InChIKeyGLKJFMSVRXKRGT-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.36
Rot. Bonds2

About [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone (PubChem CID 82908300) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
PubChem CID82908300
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C16H22N2OS/c1-12-5-2-3-6-13(12)15-7-4-9-18(15)16(19)14-11-20-10-8-17-14/h2-3,5-6,14-15,17H,4,7-11H2,1H3
InChIKeyGLKJFMSVRXKRGT-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
1-adamantyl-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856249
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939972
3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone (CID 82908300) is [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone is Cc1ccccc1C1CCCN1C(=O)C1CSCCN1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The InChIKey is GLKJFMSVRXKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-2-3-6-13(12)15-7-4-9-18(15)16(19)14-11-20-10-8-17-14/h2-3,5-6,14-15,17H,4,7-11H2,1H3.
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone has a molecular weight of 290.43 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82908300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).