[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol

C15H18N2O3S — CID 102885836

IUPAC[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
SMILESCC1CS(=O)(=O)CCN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-11-10-21(19,20)7-6-17(11)15-14-5-3-2-4-12(14)8-13(9-18)16-15/h2-5,8,11,18H,6-7,9-10H2,1H3
InChIKeyVEQZNYUIRHSNAZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.35
Rot. Bonds2

About [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol

[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol (PubChem CID 102885836) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
PubChem CID102885836
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
SMILESCC1CS(=O)(=O)CCN1c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H18N2O3S/c1-11-10-21(19,20)7-6-17(11)15-14-5-3-2-4-12(14)8-13(9-18)16-15/h2-5,8,11,18H,6-7,9-10H2,1H3
InChIKeyVEQZNYUIRHSNAZ-UHFFFAOYSA-N
XLogP1.35
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol 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

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
CID 81208016
[1-(3,4,5-trimethylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 114538878
[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 114594753
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 102883404
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
CID 102885846
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085444
[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
CID 64599052
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol (CID 102885836) is [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol is CC1CS(=O)(=O)CCN1c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol?
The InChIKey is VEQZNYUIRHSNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-10-21(19,20)7-6-17(11)15-14-5-3-2-4-12(14)8-13(9-18)16-15/h2-5,8,11,18H,6-7,9-10H2,1H3.
What are the key properties of [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol?
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol has a molecular weight of 306.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol is sourced from PubChem (CID 102885836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).