4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide

C13H18N2O2S — CID 43581612

IUPAC4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C13H18N2O2S/c16-18(17)7-5-15(6-8-18)10-11-1-2-13-12(9-11)3-4-14-13/h1-2,9,14H,3-8,10H2
InChIKeyUJZBKXPDFYSYRA-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.88
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 43581612) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID43581612
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C13H18N2O2S/c16-18(17)7-5-15(6-8-18)10-11-1-2-13-12(9-11)3-4-14-13/h1-2,9,14H,3-8,10H2
InChIKeyUJZBKXPDFYSYRA-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534936
3-(2,3-dihydro-1H-indol-5-ylmethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165389
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
4-[[4-(2,3-dihydro-1H-indol-5-yl)phenyl]methyl]morpholine
CID 39233571
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 43581612) is 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UJZBKXPDFYSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17)7-5-15(6-8-18)10-11-1-2-13-12(9-11)3-4-14-13/h1-2,9,14H,3-8,10H2.
What are the key properties of 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 266.37 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 43581612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).