4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine

C24H31N3O3S2 — CID 141141032

IUPAC4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine
SMILESO=S(=O)(CCCN1CCOCC1)N1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)CC1
InChIInChI=1S/C24H31N3O3S2/c28-32(29,16-2-8-26-11-13-30-14-12-26)27-9-6-19(7-10-27)22-18-25-23-5-4-20(17-21(22)23)24-3-1-15-31-24/h1,3-5,15,17-19,25H,2,6-14,16H2
InChIKeyYPUQMIJOSAUENW-UHFFFAOYSA-N
MW473.66 g/mol
LogP4.13
Rot. Bonds7

About 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine

4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine (PubChem CID 141141032) has the molecular formula C24H31N3O3S2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine
PubChem CID141141032
Molecular FormulaC24H31N3O3S2
Molecular Weight473.66 g/mol
Exact Mass473.18
IUPAC Name4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine
SMILESO=S(=O)(CCCN1CCOCC1)N1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)CC1
InChIInChI=1S/C24H31N3O3S2/c28-32(29,16-2-8-26-11-13-30-14-12-26)27-9-6-19(7-10-27)22-18-25-23-5-4-20(17-21(22)23)24-3-1-15-31-24/h1,3-5,15,17-19,25H,2,6-14,16H2
InChIKeyYPUQMIJOSAUENW-UHFFFAOYSA-N
XLogP4.13
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
CID 141141048
5-(4-methylphenyl)-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 141141081
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 59003292
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
CID 141141054
3-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropoxy]phenol
CID 141141069
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-indole
CID 141164181
1-[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-3-yl]-N-methylmethanamine
CID 141164155
1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
CID 141164135
N-[[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]methyl]butan-1-amine
CID 141164204
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 68790663

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine?
The IUPAC name of 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine (CID 141141032) is 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine?
The canonical SMILES for 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine is O=S(=O)(CCCN1CCOCC1)N1CCC(c2c[nH]c3ccc(-c4cccs4)cc23)CC1.
What is the InChIKey of 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine?
The InChIKey is YPUQMIJOSAUENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S2/c28-32(29,16-2-8-26-11-13-30-14-12-26)27-9-6-19(7-10-27)22-18-25-23-5-4-20(17-21(22)23)24-3-1-15-31-24/h1,3-5,15,17-19,25H,2,6-14,16H2.
What are the key properties of 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine?
4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine has a molecular weight of 473.66 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-thiophen-2-yl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]morpholine is sourced from PubChem (CID 141141032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).