methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate

C15H19NO3S — CID 94250151

IUPACmethyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)C(=O)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C15H19NO3S/c1-10(15(18)19-3)9-16(2)14(17)13-8-11-6-4-5-7-12(11)20-13/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyZUGHOGNNXQZDCG-ZWNOBZJWSA-N
MW293.39 g/mol
LogP1.97
Rot. Bonds4

About methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate

methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate (PubChem CID 94250151) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
PubChem CID94250151
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)C(=O)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C15H19NO3S/c1-10(15(18)19-3)9-16(2)14(17)13-8-11-6-4-5-7-12(11)20-13/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyZUGHOGNNXQZDCG-ZWNOBZJWSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate with MolForge

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214197
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate
CID 43409716
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214789
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 130171276
methyl 3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-2-methylpropanoate
CID 79213130
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310482
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 72923499
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723313
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892918

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate (CID 94250151) is methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate is COC(=O)[C@H](C)CN(C)C(=O)[C@H]1Cc2ccccc2S1.
What is the InChIKey of methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate?
The InChIKey is ZUGHOGNNXQZDCG-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10(15(18)19-3)9-16(2)14(17)13-8-11-6-4-5-7-12(11)20-13/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate?
methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate has a molecular weight of 293.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 94250151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).