4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine

C12H16N2O3S — CID 6486016

IUPAC4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c15-18(16,14-5-7-17-8-6-14)11-1-2-12-10(9-11)3-4-13-12/h1-2,9,13H,3-8H2
InChIKeyJZVUZORSHCTUTB-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.68
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine (PubChem CID 6486016) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine
PubChem CID6486016
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c15-18(16,14-5-7-17-8-6-14)11-1-2-12-10(9-11)3-4-13-12/h1-2,9,13H,3-8H2
InChIKeyJZVUZORSHCTUTB-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine (CID 6486016) is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine is O=S(=O)(c1ccc2c(c1)CCN2)N1CCOCC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine?
The InChIKey is JZVUZORSHCTUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-18(16,14-5-7-17-8-6-14)11-1-2-12-10(9-11)3-4-13-12/h1-2,9,13H,3-8H2.
What are the key properties of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine?
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine has a molecular weight of 268.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine is sourced from PubChem (CID 6486016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).