(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone

C15H18N2OS — CID 115634509

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
SMILESCC1SCCN(C(=O)c2c[nH]c3ccccc23)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)19-8-7-17(10)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyJTCTYUJMBLFPNX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.13
Rot. Bonds1

About (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone (PubChem CID 115634509) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
PubChem CID115634509
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
SMILESCC1SCCN(C(=O)c2c[nH]c3ccccc23)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)19-8-7-17(10)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyJTCTYUJMBLFPNX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
1H-indol-3-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 73169009
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
(4-bromo-1H-pyrrol-2-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 115634507
(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 106854402
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
CID 67223431

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone (CID 115634509) is (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone is CC1SCCN(C(=O)c2c[nH]c3ccccc23)C1C.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone?
The InChIKey is JTCTYUJMBLFPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-11(2)19-8-7-17(10)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 115634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).