4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine

C15H22N2O2S2 — CID 80566473

IUPAC4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2S2/c1-2-21(18,19)15-11-20-8-7-17(15)10-13-9-12-5-3-4-6-14(12)16-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyGDTPECZJPZNIAX-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.83
Rot. Bonds4

About 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine

4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine (PubChem CID 80566473) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine
PubChem CID80566473
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2S2/c1-2-21(18,19)15-11-20-8-7-17(15)10-13-9-12-5-3-4-6-14(12)16-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyGDTPECZJPZNIAX-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine (CID 80566473) is 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CC1Cc2ccccc2N1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is GDTPECZJPZNIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-2-21(18,19)15-11-20-8-7-17(15)10-13-9-12-5-3-4-6-14(12)16-13/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine?
4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 326.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 80566473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).