ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

C21H31N5O5S2 — CID 24671744

IUPACethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC(NS(C)(=O)=O)CC3)c2c1C
InChIInChI=1S/C21H31N5O5S2/c1-4-31-21(27)18-14(2)17-19(26-7-5-15(6-8-26)24-33(3,28)29)22-16(23-20(17)32-18)13-25-9-11-30-12-10-25/h15,24H,4-13H2,1-3H3
InChIKeyZVCXBERZIXFDDR-UHFFFAOYSA-N
MW497.64 g/mol
LogP1.53
Rot. Bonds7

About ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24671744) has the molecular formula C21H31N5O5S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24671744
Molecular FormulaC21H31N5O5S2
Molecular Weight497.64 g/mol
Exact Mass497.18
IUPAC Nameethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC(NS(C)(=O)=O)CC3)c2c1C
InChIInChI=1S/C21H31N5O5S2/c1-4-31-21(27)18-14(2)17-19(26-7-5-15(6-8-26)24-33(3,28)29)22-16(23-20(17)32-18)13-25-9-11-30-12-10-25/h15,24H,4-13H2,1-3H3
InChIKeyZVCXBERZIXFDDR-UHFFFAOYSA-N
XLogP1.53
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 124733592
ethyl 4-chloro-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2466476
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 9310923
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 6615484
ethyl 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4097687
[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607766
ethyl 4-[(3R)-3-hydroxypiperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 35885013
ethyl 4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 97029211
ethyl 4-(4-ethoxypiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133271332
ethyl 2,5-dimethyl-4-[4-(phenylcarbamoyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 27818310
1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064581
ethyl 2,5-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 17417423

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 24671744) is ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC(NS(C)(=O)=O)CC3)c2c1C.
What is the InChIKey of ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZVCXBERZIXFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O5S2/c1-4-31-21(27)18-14(2)17-19(26-7-5-15(6-8-26)24-33(3,28)29)22-16(23-20(17)32-18)13-25-9-11-30-12-10-25/h15,24H,4-13H2,1-3H3.
What are the key properties of ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 497.64 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24671744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).