2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine

C10H18N4O2S — CID 113280017

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-13-7-9(6-12-13)10(11)8-14-2-4-17(15,16)5-3-14/h6-7,10H,2-5,8,11H2,1H3
InChIKeyGOGLEEVLZJOGGP-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.85
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 113280017) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID113280017
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-13-7-9(6-12-13)10(11)8-14-2-4-17(15,16)5-3-14/h6-7,10H,2-5,8,11H2,1H3
InChIKeyGOGLEEVLZJOGGP-UHFFFAOYSA-N
XLogP-0.85
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291197
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(2,2-dimethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291150
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 113280017) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(N)CN2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is GOGLEEVLZJOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-7-9(6-12-13)10(11)8-14-2-4-17(15,16)5-3-14/h6-7,10H,2-5,8,11H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 258.35 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113280017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).