2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide

C9H16N2OS — CID 131036059

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide
SMILESNC(=O)CN1CCSC2CCCC21
InChIInChI=1S/C9H16N2OS/c10-9(12)6-11-4-5-13-8-3-1-2-7(8)11/h7-8H,1-6H2,(H2,10,12)
InChIKeyQEKPWPHUOSZQNJ-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.44
Rot. Bonds2

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide (PubChem CID 131036059) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide
PubChem CID131036059
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide
SMILESNC(=O)CN1CCSC2CCCC21
InChIInChI=1S/C9H16N2OS/c10-9(12)6-11-4-5-13-8-3-1-2-7(8)11/h7-8H,1-6H2,(H2,10,12)
InChIKeyQEKPWPHUOSZQNJ-UHFFFAOYSA-N
XLogP0.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide (CID 131036059) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide is NC(=O)CN1CCSC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide?
The InChIKey is QEKPWPHUOSZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c10-9(12)6-11-4-5-13-8-3-1-2-7(8)11/h7-8H,1-6H2,(H2,10,12).
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide has a molecular weight of 200.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazin-4-yl)acetamide is sourced from PubChem (CID 131036059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).