lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C14H18LiNO4S — CID 165143277

IUPAClithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCC1Cc2c(C(=O)[O-])csc2CN1C(=O)OC(C)(C)C.[Li+]
InChIInChI=1S/C14H19NO4S.Li/c1-8-5-9-10(12(16)17)7-20-11(9)6-15(8)13(18)19-14(2,3)4;/h7-8H,5-6H2,1-4H3,(H,16,17);/q;+1/p-1
InChIKeyMXSSZKTVPWHGAN-UHFFFAOYSA-M
MW303.31 g/mol
LogP-1.20
Rot. Bonds1

About lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 165143277) has the molecular formula C14H18LiNO4S and a molecular weight of 303.31 g/mol. Its IUPAC name is lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID165143277
Molecular FormulaC14H18LiNO4S
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namelithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCC1Cc2c(C(=O)[O-])csc2CN1C(=O)OC(C)(C)C.[Li+]
InChIInChI=1S/C14H19NO4S.Li/c1-8-5-9-10(12(16)17)7-20-11(9)6-15(8)13(18)19-14(2,3)4;/h7-8H,5-6H2,1-4H3,(H,16,17);/q;+1/p-1
InChIKeyMXSSZKTVPWHGAN-UHFFFAOYSA-M
XLogP-1.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 165143086
tert-butyl 2-acetamido-3,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 145201782
tert-butyl (2R)-2-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118897319
tert-butyl 3-methyl-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 126517039
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylate
CID 91666171
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
tert-butyl 3,6-dimethyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;ethane
CID 176669163
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
CID 152995833
6-O-tert-butyl 3-O-ethyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 165143435
tert-butyl (3S)-3,6-dimethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
CID 95757305
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl (2S)-4-amino-5-methanimidoyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170016264

Frequently Asked Questions

What is the IUPAC name of lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 165143277) is lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CC1Cc2c(C(=O)[O-])csc2CN1C(=O)OC(C)(C)C.[Li+].
What is the InChIKey of lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is MXSSZKTVPWHGAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO4S.Li/c1-8-5-9-10(12(16)17)7-20-11(9)6-15(8)13(18)19-14(2,3)4;/h7-8H,5-6H2,1-4H3,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 303.31 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 165143277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).