(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone

C14H18N2O4S — CID 2301990

IUPAC(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyBZBPHGWJXMQXQH-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.48
Rot. Bonds2

About (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone

(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone (PubChem CID 2301990) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
PubChem CID2301990
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyBZBPHGWJXMQXQH-UHFFFAOYSA-N
XLogP0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone (CID 2301990) is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone is CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is BZBPHGWJXMQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3.
What are the key properties of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 310.38 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2301990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).