2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C10H17N3O2S2 — CID 80522147

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESO=S1(=O)CCNC(CCNCc2nccs2)C1
InChIInChI=1S/C10H17N3O2S2/c14-17(15)6-4-12-9(8-17)1-2-11-7-10-13-3-5-16-10/h3,5,9,11-12H,1-2,4,6-8H2
InChIKeyLPQPBLHZNBGPKH-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.01
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 80522147) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID80522147
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESO=S1(=O)CCNC(CCNCc2nccs2)C1
InChIInChI=1S/C10H17N3O2S2/c14-17(15)6-4-12-9(8-17)1-2-11-7-10-13-3-5-16-10/h3,5,9,11-12H,1-2,4,6-8H2
InChIKeyLPQPBLHZNBGPKH-UHFFFAOYSA-N
XLogP0.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 80522147) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is O=S1(=O)CCNC(CCNCc2nccs2)C1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is LPQPBLHZNBGPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c14-17(15)6-4-12-9(8-17)1-2-11-7-10-13-3-5-16-10/h3,5,9,11-12H,1-2,4,6-8H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 80522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).