(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone

C15H18N2OS — CID 43581955

IUPAC(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CCSCC3)cc2c1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)16-14-4-3-12(9-13(10)14)15(18)17-5-7-19-8-6-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyVKENPSTVDNPIIM-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.97
Rot. Bonds1

About (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone

(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 43581955) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID43581955
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CCSCC3)cc2c1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)16-14-4-3-12(9-13(10)14)15(18)17-5-7-19-8-6-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyVKENPSTVDNPIIM-UHFFFAOYSA-N
XLogP2.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49217018
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31282088
(2,3-dimethyl-1H-indol-5-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 136562206
(4-benzylsulfonylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 17406284

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone (CID 43581955) is (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone is Cc1[nH]c2ccc(C(=O)N3CCSCC3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is VKENPSTVDNPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-11(2)16-14-4-3-12(9-13(10)14)15(18)17-5-7-19-8-6-17/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone?
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 274.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 43581955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).