(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C14H20N2O2S — CID 136512721

IUPAC(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cscc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O2S/c1-11-9-19-10-13(11)14(17)16-3-2-12(8-16)15-4-6-18-7-5-15/h9-10,12H,2-8H2,1H3
InChIKeyKBAPRUAWQTXKRD-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.60
Rot. Bonds2

About (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 136512721) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID136512721
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cscc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O2S/c1-11-9-19-10-13(11)14(17)16-3-2-12(8-16)15-4-6-18-7-5-15/h9-10,12H,2-8H2,1H3
InChIKeyKBAPRUAWQTXKRD-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylthiophen-3-yl)methanone;hydrochloride
CID 119635898
(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 106993823
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110471567
2-methyl-3-[(3S)-3-morpholin-4-ylazepane-1-carbonyl]benzoic acid
CID 166275818
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 136512721) is (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Cc1cscc1C(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is KBAPRUAWQTXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-9-19-10-13(11)14(17)16-3-2-12(8-16)15-4-6-18-7-5-15/h9-10,12H,2-8H2,1H3.
What are the key properties of (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136512721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).