(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol

C25H35N3O5S — CID 10141164

IUPAC(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4c3CC(C)N4)CC2)cc1
InChIInChI=1S/C25H35N3O5S/c1-18-14-23-24(27-18)4-3-5-25(23)33-17-20(29)16-26-15-19-10-12-28(13-11-19)34(30,31)22-8-6-21(32-2)7-9-22/h3-9,18-20,26-27,29H,10-17H2,1-2H3/t18?,20-/m0/s1
InChIKeyFHKQFDNHDUHJOD-IJHRGXPZSA-N
MW489.64 g/mol
LogP2.48
Rot. Bonds10

About (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol

(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol (PubChem CID 10141164) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
PubChem CID10141164
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4c3CC(C)N4)CC2)cc1
InChIInChI=1S/C25H35N3O5S/c1-18-14-23-24(27-18)4-3-5-25(23)33-17-20(29)16-26-15-19-10-12-28(13-11-19)34(30,31)22-8-6-21(32-2)7-9-22/h3-9,18-20,26-27,29H,10-17H2,1-2H3/t18?,20-/m0/s1
InChIKeyFHKQFDNHDUHJOD-IJHRGXPZSA-N
XLogP2.48
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
CID 18678599
4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70007918
4-[(2R)-3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70001707
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
4-[2-hydroxy-3-[[1-(3-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 59882992
4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol
CID 70000212
4-[(2R)-2-hydroxy-3-[[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001665
1-[4-[4-[[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]-3-phenylurea
CID 10210674
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657504
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol (CID 10141164) is (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol is COc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4c3CC(C)N4)CC2)cc1.
What is the InChIKey of (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol?
The InChIKey is FHKQFDNHDUHJOD-IJHRGXPZSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-18-14-23-24(27-18)4-3-5-25(23)33-17-20(29)16-26-15-19-10-12-28(13-11-19)34(30,31)22-8-6-21(32-2)7-9-22/h3-9,18-20,26-27,29H,10-17H2,1-2H3/t18?,20-/m0/s1.
What are the key properties of (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol?
(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol has a molecular weight of 489.64 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 10141164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).