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

C10H18N4O2S — CID 43581313

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-13-8-9(7-12-13)10(6-11)14-2-4-17(15,16)5-3-14/h7-8,10H,2-6,11H2,1H3
InChIKeyNPNPUDNVZXRIIZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.85
Rot. Bonds3

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43581313) 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)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43581313
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-13-8-9(7-12-13)10(6-11)14-2-4-17(15,16)5-3-14/h7-8,10H,2-6,11H2,1H3
InChIKeyNPNPUDNVZXRIIZ-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 43581313) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(CN)N2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is NPNPUDNVZXRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-8-9(7-12-13)10(6-11)14-2-4-17(15,16)5-3-14/h7-8,10H,2-6,11H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(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)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43581313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).