methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate

C16H23NO3S — CID 123337673

IUPACmethyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate
SMILESCC=C(CCN1CCOCC1)c1scc(C(=O)OC)c1C
InChIInChI=1S/C16H23NO3S/c1-4-13(5-6-17-7-9-20-10-8-17)15-12(2)14(11-21-15)16(18)19-3/h4,11H,5-10H2,1-3H3
InChIKeyRNATZOZBJSMETD-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.97
Rot. Bonds5

About methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate

methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate (PubChem CID 123337673) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate
PubChem CID123337673
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Namemethyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate
SMILESCC=C(CCN1CCOCC1)c1scc(C(=O)OC)c1C
InChIInChI=1S/C16H23NO3S/c1-4-13(5-6-17-7-9-20-10-8-17)15-12(2)14(11-21-15)16(18)19-3/h4,11H,5-10H2,1-3H3
InChIKeyRNATZOZBJSMETD-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
CID 123187472
methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
CID 18376662
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
CID 157104482
methyl 5-(2-morpholin-4-ylethoxy)-2,1,3-benzothiadiazole-6-carboxylate
CID 146371311
methyl 5-[1-(4-hydroxy-4-methoxycyclohexylidene)propyl]-4-methylthiophene-3-carboxylate
CID 145071529
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 1182906
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
CID 171980451

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate (CID 123337673) is methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate is CC=C(CCN1CCOCC1)c1scc(C(=O)OC)c1C.
What is the InChIKey of methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate?
The InChIKey is RNATZOZBJSMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-13(5-6-17-7-9-20-10-8-17)15-12(2)14(11-21-15)16(18)19-3/h4,11H,5-10H2,1-3H3.
What are the key properties of methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate?
methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate is sourced from PubChem (CID 123337673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).