N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C12H22N4O2S — CID 43581790

IUPACN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-13-9-11-10(2)14-15(3)12(11)16-5-7-19(17,18)8-6-16/h13H,4-9H2,1-3H3
InChIKeyXHSYSFUGWTWARH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.07
Rot. Bonds4

About N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 43581790) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID43581790
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-13-9-11-10(2)14-15(3)12(11)16-5-7-19(17,18)8-6-16/h13H,4-9H2,1-3H3
InChIKeyXHSYSFUGWTWARH-UHFFFAOYSA-N
XLogP0.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61432911
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 113222994
N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63634287
N-[[5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63217623
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 114083330
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379251

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 43581790) is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is XHSYSFUGWTWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-13-9-11-10(2)14-15(3)12(11)16-5-7-19(17,18)8-6-16/h13H,4-9H2,1-3H3.
What are the key properties of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43581790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).