cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone

C19H26N2O3S — CID 3244246

IUPACcyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-14-4-3-10-20(13-14)25(23,24)17-7-8-18-16(12-17)9-11-21(18)19(22)15-5-2-6-15/h7-8,12,14-15H,2-6,9-11,13H2,1H3
InChIKeyXXDZHFRCIYVNSW-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.80
Rot. Bonds3

About cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone

cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 3244246) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
PubChem CID3244246
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Namecyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-14-4-3-10-20(13-14)25(23,24)17-7-8-18-16(12-17)9-11-21(18)19(22)15-5-2-6-15/h7-8,12,14-15H,2-6,9-11,13H2,1H3
InChIKeyXXDZHFRCIYVNSW-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone (CID 3244246) is cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone is CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is XXDZHFRCIYVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-4-3-10-20(13-14)25(23,24)17-7-8-18-16(12-17)9-11-21(18)19(22)15-5-2-6-15/h7-8,12,14-15H,2-6,9-11,13H2,1H3.
What are the key properties of cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 362.50 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 3244246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).