methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate

C14H19NO4S2 — CID 103342136

IUPACmethyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)11-3-2-4-13(11)21(17,18)15-7-5-12-10(9-15)6-8-20-12/h6,8,11,13H,2-5,7,9H2,1H3
InChIKeyDMVPFDGQTVZSCB-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate

methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate (PubChem CID 103342136) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate
PubChem CID103342136
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Namemethyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)11-3-2-4-13(11)21(17,18)15-7-5-12-10(9-15)6-8-20-12/h6,8,11,13H,2-5,7,9H2,1H3
InChIKeyDMVPFDGQTVZSCB-UHFFFAOYSA-N
XLogP1.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 107215602
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343265
methyl (2S,3aS,7aR)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124735189
trans-methyl (1R,2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylcyclohexane-1-carboxylate
CID 97352587
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-bromo-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoate
CID 55922970
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate (CID 103342136) is methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate?
The InChIKey is DMVPFDGQTVZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-19-14(16)11-3-2-4-13(11)21(17,18)15-7-5-12-10(9-15)6-8-20-12/h6,8,11,13H,2-5,7,9H2,1H3.
What are the key properties of methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate?
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).