methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate

C14H19NO5S — CID 129479747

IUPACmethyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C14H19NO5S/c1-10(19-2)9-21(17,18)15-7-6-11-8-12(14(16)20-3)4-5-13(11)15/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyOBLKCWZACQGGQG-JTQLQIEISA-N
MW313.38 g/mol
LogP1.20
Rot. Bonds5

About methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate

methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate (PubChem CID 129479747) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
PubChem CID129479747
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C14H19NO5S/c1-10(19-2)9-21(17,18)15-7-6-11-8-12(14(16)20-3)4-5-13(11)15/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyOBLKCWZACQGGQG-JTQLQIEISA-N
XLogP1.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 167990337
methyl 1-(2,5-dimethylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756213
methyl 1-(2,3,4-trifluorophenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756320
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783625
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783544
methyl 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 55589959
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9304056
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783602
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate (CID 129479747) is methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C[C@H](C)OC.
What is the InChIKey of methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is OBLKCWZACQGGQG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10(19-2)9-21(17,18)15-7-6-11-8-12(14(16)20-3)4-5-13(11)15/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate?
methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 129479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).