N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine

C11H19N3OS — CID 106363575

IUPACN-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine
SMILESC1CC2CSC(NN3CCOCC3)=NC2C1
InChIInChI=1S/C11H19N3OS/c1-2-9-8-16-11(12-10(9)3-1)13-14-4-6-15-7-5-14/h9-10H,1-8H2,(H,12,13)
InChIKeyNKIYOQLLDZGOFZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.09
Rot. Bonds1

About N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine

N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine (PubChem CID 106363575) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine
PubChem CID106363575
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine
SMILESC1CC2CSC(NN3CCOCC3)=NC2C1
InChIInChI=1S/C11H19N3OS/c1-2-9-8-16-11(12-10(9)3-1)13-14-4-6-15-7-5-14/h9-10H,1-8H2,(H,12,13)
InChIKeyNKIYOQLLDZGOFZ-UHFFFAOYSA-N
XLogP1.09
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine?
The IUPAC name of N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine (CID 106363575) is N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine?
The canonical SMILES for N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine is C1CC2CSC(NN3CCOCC3)=NC2C1.
What is the InChIKey of N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine?
The InChIKey is NKIYOQLLDZGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-9-8-16-11(12-10(9)3-1)13-14-4-6-15-7-5-14/h9-10H,1-8H2,(H,12,13).
What are the key properties of N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine?
N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine has a molecular weight of 241.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine is sourced from PubChem (CID 106363575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).