3-(1-butylsulfonylpiperidin-4-yl)-1H-indole

C17H24N2O2S — CID 84562582

IUPAC3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
SMILESCCCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2O2S/c1-2-3-12-22(20,21)19-10-8-14(9-11-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3
InChIKeyPQKDZWXTNVSNLX-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.48
Rot. Bonds5

About 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole

3-(1-butylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 84562582) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID84562582
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
SMILESCCCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2O2S/c1-2-3-12-22(20,21)19-10-8-14(9-11-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3
InChIKeyPQKDZWXTNVSNLX-UHFFFAOYSA-N
XLogP3.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
CID 144855051
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
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
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
CID 141164185
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
CID 141141054
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]hexanamide
CID 141164206
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole (CID 84562582) is 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole is CCCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is PQKDZWXTNVSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-3-12-22(20,21)19-10-8-14(9-11-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3.
What are the key properties of 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole?
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 320.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 84562582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).