5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one

C12H19N3OS — CID 106363312

IUPAC5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2=NC3CCCC3CS2)CN1
InChIInChI=1S/C12H19N3OS/c16-11-5-4-9(6-13-11)14-12-15-10-3-1-2-8(10)7-17-12/h8-10H,1-7H2,(H,13,16)(H,14,15)
InChIKeyAIPBUXBFHZUIOJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.13
Rot. Bonds1

About 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one

5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one (PubChem CID 106363312) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one
PubChem CID106363312
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2=NC3CCCC3CS2)CN1
InChIInChI=1S/C12H19N3OS/c16-11-5-4-9(6-13-11)14-12-15-10-3-1-2-8(10)7-17-12/h8-10H,1-7H2,(H,13,16)(H,14,15)
InChIKeyAIPBUXBFHZUIOJ-UHFFFAOYSA-N
XLogP1.13
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one?
The IUPAC name of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one (CID 106363312) is 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one.
What is the SMILES notation for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one?
The canonical SMILES for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one is O=C1CCC(NC2=NC3CCCC3CS2)CN1.
What is the InChIKey of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one?
The InChIKey is AIPBUXBFHZUIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-11-5-4-9(6-13-11)14-12-15-10-3-1-2-8(10)7-17-12/h8-10H,1-7H2,(H,13,16)(H,14,15).
What are the key properties of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one?
5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)piperidin-2-one is sourced from PubChem (CID 106363312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).