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

C12H16N2O2S2 — CID 43119942

IUPAC4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCSCC1
InChIInChI=1S/C12H16N2O2S2/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
InChIKeyQOMDIAATHBHBJW-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.39
Rot. Bonds2

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

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine (PubChem CID 43119942) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
PubChem CID43119942
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCSCC1
InChIInChI=1S/C12H16N2O2S2/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
InChIKeyQOMDIAATHBHBJW-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 106836439
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indole
CID 22583473
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 106315307
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
CID 66062795
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine (CID 43119942) is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine is O=S(=O)(c1ccc2c(c1)CCN2)N1CCSCC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine?
The InChIKey is QOMDIAATHBHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/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)thiomorpholine?
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine has a molecular weight of 284.41 g/mol, XLogP of 1.39, 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)thiomorpholine is sourced from PubChem (CID 43119942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).