1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone

C14H16N2OS — CID 113244798

IUPAC1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc3cc[nH]c23)CCS1
InChIInChI=1S/C14H16N2OS/c1-10-9-16(7-8-18-10)14(17)12-4-2-3-11-5-6-15-13(11)12/h2-6,10,15H,7-9H2,1H3
InChIKeyBQDOESRUGPXYLE-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.75
Rot. Bonds1

About 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone

1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 113244798) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
PubChem CID113244798
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc3cc[nH]c23)CCS1
InChIInChI=1S/C14H16N2OS/c1-10-9-16(7-8-18-10)14(17)12-4-2-3-11-5-6-15-13(11)12/h2-6,10,15H,7-9H2,1H3
InChIKeyBQDOESRUGPXYLE-UHFFFAOYSA-N
XLogP2.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
CID 124592372
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone (CID 113244798) is 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc3cc[nH]c23)CCS1.
What is the InChIKey of 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is BQDOESRUGPXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-9-16(7-8-18-10)14(17)12-4-2-3-11-5-6-15-13(11)12/h2-6,10,15H,7-9H2,1H3.
What are the key properties of 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone?
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 113244798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).