2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone

C14H18N2O3S2 — CID 124626255

IUPAC2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
SMILESCS(=O)(=O)[C@H]1CSCCN1C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O3S2/c1-21(18,19)13-10-20-9-8-16(13)14(17)15-7-6-11-4-2-3-5-12(11)15/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyLHQUSAOHWXVLBM-ZDUSSCGKSA-N
MW326.44 g/mol
LogP1.59
Rot. Bonds1

About 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone

2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone (PubChem CID 124626255) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
PubChem CID124626255
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
SMILESCS(=O)(=O)[C@H]1CSCCN1C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O3S2/c1-21(18,19)13-10-20-9-8-16(13)14(17)15-7-6-11-4-2-3-5-12(11)15/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyLHQUSAOHWXVLBM-ZDUSSCGKSA-N
XLogP1.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]ethanone
CID 124607385
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839
2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
CID 880577
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone (CID 124626255) is 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone is CS(=O)(=O)[C@H]1CSCCN1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone?
The InChIKey is LHQUSAOHWXVLBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-21(18,19)13-10-20-9-8-16(13)14(17)15-7-6-11-4-2-3-5-12(11)15/h2-5,13H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone?
2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone is sourced from PubChem (CID 124626255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).