4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine

C22H26N2O3S — CID 110316148

IUPAC4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H26N2O3S/c25-28(26,21-8-6-17-3-1-2-4-19(17)15-21)24-10-9-18-5-7-20(16-22(18)24)23-11-13-27-14-12-23/h5-8,15-16H,1-4,9-14H2
InChIKeyMVCHHINQMJWOSE-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.15
Rot. Bonds3

About 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine

4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine (PubChem CID 110316148) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
PubChem CID110316148
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H26N2O3S/c25-28(26,21-8-6-17-3-1-2-4-19(17)15-21)24-10-9-18-5-7-20(16-22(18)24)23-11-13-27-14-12-23/h5-8,15-16H,1-4,9-14H2
InChIKeyMVCHHINQMJWOSE-UHFFFAOYSA-N
XLogP3.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316144
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
N-(2-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110362713
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine?
The IUPAC name of 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine (CID 110316148) is 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine?
The canonical SMILES for 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine?
The InChIKey is MVCHHINQMJWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-28(26,21-8-6-17-3-1-2-4-19(17)15-21)24-10-9-18-5-7-20(16-22(18)24)23-11-13-27-14-12-23/h5-8,15-16H,1-4,9-14H2.
What are the key properties of 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine?
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine has a molecular weight of 398.53 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine is sourced from PubChem (CID 110316148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).