methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate

C14H15NO2S2 — CID 107776910

IUPACmethyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nccc3sccc23)CC1
InChIInChI=1S/C14H15NO2S2/c1-17-12(16)8-14(4-5-14)9-19-13-10-3-7-18-11(10)2-6-15-13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyHRVPYCSIGKZWEY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds5

About methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate

methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107776910) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107776910
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nccc3sccc23)CC1
InChIInChI=1S/C14H15NO2S2/c1-17-12(16)8-14(4-5-14)9-19-13-10-3-7-18-11(10)2-6-15-13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyHRVPYCSIGKZWEY-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate with MolForge

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Related Compounds

methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107778818
methyl 2-[1-[(4-methylpyrimidin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777017
methyl 2-[1-[(3,5-difluoro-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000327
2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-4-carboxylic acid
CID 107777155
methyl 2-[1-[(5-bromo-6-chloropyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114071822
ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate
CID 107776900
methyl 2-[1-[(4-chlorophthalazin-1-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777562
methyl 2-[1-[(2-hydrazinyl-4-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778835
methyl 2-[1-[(3-amino-6-carbamoyl-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778059
methyl 2-[1-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778323
methyl 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107777125
6-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylic acid
CID 107777153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate (CID 107776910) is methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate is COC(=O)CC1(CSc2nccc3sccc23)CC1.
What is the InChIKey of methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is HRVPYCSIGKZWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-17-12(16)8-14(4-5-14)9-19-13-10-3-7-18-11(10)2-6-15-13/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 293.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).