(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone

C15H18N2O3S — CID 90513387

IUPAC(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-15(17-8-7-11-3-1-2-4-14(11)17)12-9-16(10-12)21(19,20)13-5-6-13/h1-4,12-13H,5-10H2
InChIKeyDBURFKGQEUAHEJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.00
Rot. Bonds3

About (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone

(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 90513387) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID90513387
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-15(17-8-7-11-3-1-2-4-14(11)17)12-9-16(10-12)21(19,20)13-5-6-13/h1-4,12-13H,5-10H2
InChIKeyDBURFKGQEUAHEJ-UHFFFAOYSA-N
XLogP1.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone (CID 90513387) is (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone is O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCc2ccccc21.
What is the InChIKey of (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DBURFKGQEUAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(17-8-7-11-3-1-2-4-14(11)17)12-9-16(10-12)21(19,20)13-5-6-13/h1-4,12-13H,5-10H2.
What are the key properties of (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone?
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 90513387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).