1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

C13H14N2O2S — CID 54975611

IUPAC1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCS(=O)CC1
InChIInChI=1S/C13H14N2O2S/c16-13(15-5-7-18(17)8-6-15)12-9-10-3-1-2-4-11(10)14-12/h1-4,9,14H,5-8H2
InChIKeyREYWJBSRQSWUDG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.37
Rot. Bonds1

About 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 54975611) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID54975611
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCS(=O)CC1
InChIInChI=1S/C13H14N2O2S/c16-13(15-5-7-18(17)8-6-15)12-9-10-3-1-2-4-11(10)14-12/h1-4,9,14H,5-8H2
InChIKeyREYWJBSRQSWUDG-UHFFFAOYSA-N
XLogP1.37
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 54975611) is 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCS(=O)CC1.
What is the InChIKey of 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is REYWJBSRQSWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(15-5-7-18(17)8-6-15)12-9-10-3-1-2-4-11(10)14-12/h1-4,9,14H,5-8H2.
What are the key properties of 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 262.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 54975611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).