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

C13H18N2S — CID 80567140

IUPAC4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
SMILESc1ccc2c(c1)NCC2CN1CCSCC1
InChIInChI=1S/C13H18N2S/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2
InChIKeyWVYIYUYEOCPSRR-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.24
Rot. Bonds2

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

4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine (PubChem CID 80567140) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
PubChem CID80567140
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
SMILESc1ccc2c(c1)NCC2CN1CCSCC1
InChIInChI=1S/C13H18N2S/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2
InChIKeyWVYIYUYEOCPSRR-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 80565688
3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80565820
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534870
2-(2,3-dihydro-1H-indol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 80573102
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
CID 80567239
3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574811
3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
CID 117200389
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine (CID 80567140) is 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine is c1ccc2c(c1)NCC2CN1CCSCC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine?
The InChIKey is WVYIYUYEOCPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2.
What are the key properties of 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine?
4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine has a molecular weight of 234.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine is sourced from PubChem (CID 80567140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).