(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone

C15H20N2O3S — CID 934511

IUPAC(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-10-7-12-11-13(5-6-14(12)17)15(18)16-8-3-2-4-9-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyRLJWMGVMORCHKM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.63
Rot. Bonds2

About (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone

(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone (PubChem CID 934511) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone
PubChem CID934511
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-10-7-12-11-13(5-6-14(12)17)15(18)16-8-3-2-4-9-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyRLJWMGVMORCHKM-UHFFFAOYSA-N
XLogP1.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone (CID 934511) is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone is CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is RLJWMGVMORCHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)17-10-7-12-11-13(5-6-14(12)17)15(18)16-8-3-2-4-9-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone?
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 308.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 934511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).