[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

C17H23N3O2S — CID 53139629

IUPAC[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1sc2cc(C(=O)N3CCOCC3)[nH]c2c1CN1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-12-13(11-19-4-2-3-5-19)16-15(23-12)10-14(18-16)17(21)20-6-8-22-9-7-20/h10,18H,2-9,11H2,1H3
InChIKeyGVLSIJOAYAMDDE-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.61
Rot. Bonds3

About [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (PubChem CID 53139629) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
PubChem CID53139629
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1sc2cc(C(=O)N3CCOCC3)[nH]c2c1CN1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-12-13(11-19-4-2-3-5-19)16-15(23-12)10-14(18-16)17(21)20-6-8-22-9-7-20/h10,18H,2-9,11H2,1H3
InChIKeyGVLSIJOAYAMDDE-UHFFFAOYSA-N
XLogP2.61
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone
CID 53139686
2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139630
N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139653
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 22391000
(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851
(6-ethyl-7-fluoro-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 176934668
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 50842415
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (CID 53139629) is [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is Cc1sc2cc(C(=O)N3CCOCC3)[nH]c2c1CN1CCCC1.
What is the InChIKey of [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GVLSIJOAYAMDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-13(11-19-4-2-3-5-19)16-15(23-12)10-14(18-16)17(21)20-6-8-22-9-7-20/h10,18H,2-9,11H2,1H3.
What are the key properties of [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 333.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53139629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).