3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C16H24N2O2S — CID 95628126

IUPAC3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc([C@H]2CCCN2CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C16H24N2O2S/c1-13-4-5-15(21-13)14-3-2-7-17(14)8-6-16(19)18-9-11-20-12-10-18/h4-5,14H,2-3,6-12H2,1H3/t14-/m1/s1
InChIKeyVMINVKPSWRFAOL-CQSZACIVSA-N
MW308.45 g/mol
LogP2.44
Rot. Bonds4

About 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95628126) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95628126
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc([C@H]2CCCN2CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C16H24N2O2S/c1-13-4-5-15(21-13)14-3-2-7-17(14)8-6-16(19)18-9-11-20-12-10-18/h4-5,14H,2-3,6-12H2,1H3/t14-/m1/s1
InChIKeyVMINVKPSWRFAOL-CQSZACIVSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95300893
(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine
CID 95628123
1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 129336669
N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953240
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
3-cyclohexyl-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-1-one
CID 86952952
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111103101
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
4-[3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 86779588
3-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981915
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95628126) is 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc([C@H]2CCCN2CCC(=O)N2CCOCC2)s1.
What is the InChIKey of 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VMINVKPSWRFAOL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-4-5-15(21-13)14-3-2-7-17(14)8-6-16(19)18-9-11-20-12-10-18/h4-5,14H,2-3,6-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 308.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95628126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).