4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine

C20H24N2O3S — CID 97254906

IUPAC4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
SMILESC[C@H]1Cc2ccccc2N1Cc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N2O3S/c1-16-14-17-6-2-4-8-19(17)22(16)15-18-7-3-5-9-20(18)26(23,24)21-10-12-25-13-11-21/h2-9,16H,10-15H2,1H3/t16-/m0/s1
InChIKeyMZAXSUUMKDSMAG-INIZCTEOSA-N
MW372.49 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine

4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine (PubChem CID 97254906) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
PubChem CID97254906
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
SMILESC[C@H]1Cc2ccccc2N1Cc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N2O3S/c1-16-14-17-6-2-4-8-19(17)22(16)15-18-7-3-5-9-20(18)26(23,24)21-10-12-25-13-11-21/h2-9,16H,10-15H2,1H3/t16-/m0/s1
InChIKeyMZAXSUUMKDSMAG-INIZCTEOSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669040
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3983361
4-[2-[(3-methoxy-3-propylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009186
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009188

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine (CID 97254906) is 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine is C[C@H]1Cc2ccccc2N1Cc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine?
The InChIKey is MZAXSUUMKDSMAG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-14-17-6-2-4-8-19(17)22(16)15-18-7-3-5-9-20(18)26(23,24)21-10-12-25-13-11-21/h2-9,16H,10-15H2,1H3/t16-/m0/s1.
What are the key properties of 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine?
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine has a molecular weight of 372.49 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 97254906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).