cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C18H24N2O3S — CID 3238083

IUPACcyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C18H24N2O3S/c21-18(14-5-4-6-14)20-12-9-15-13-16(7-8-17(15)20)24(22,23)19-10-2-1-3-11-19/h7-8,13-14H,1-6,9-12H2
InChIKeyNYAXPQZMWBJBSG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.55
Rot. Bonds3

About cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3238083) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3238083
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namecyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C18H24N2O3S/c21-18(14-5-4-6-14)20-12-9-15-13-16(7-8-17(15)20)24(22,23)19-10-2-1-3-11-19/h7-8,13-14H,1-6,9-12H2
InChIKeyNYAXPQZMWBJBSG-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 3238083) is cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NYAXPQZMWBJBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-18(14-5-4-6-14)20-12-9-15-13-16(7-8-17(15)20)24(22,23)19-10-2-1-3-11-19/h7-8,13-14H,1-6,9-12H2.
What are the key properties of cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 348.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3238083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).