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

C11H19N3OS — CID 106363151

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide
SMILESCC(C)(NC1=NC2CCCC2CS1)C(N)=O
InChIInChI=1S/C11H19N3OS/c1-11(2,9(12)15)14-10-13-8-5-3-4-7(8)6-16-10/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyKCBUJAWDZMKATG-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.11
Rot. Bonds2

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

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide (PubChem CID 106363151) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide
PubChem CID106363151
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide
SMILESCC(C)(NC1=NC2CCCC2CS1)C(N)=O
InChIInChI=1S/C11H19N3OS/c1-11(2,9(12)15)14-10-13-8-5-3-4-7(8)6-16-10/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyKCBUJAWDZMKATG-UHFFFAOYSA-N
XLogP1.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide (CID 106363151) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide is CC(C)(NC1=NC2CCCC2CS1)C(N)=O.
What is the InChIKey of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide?
The InChIKey is KCBUJAWDZMKATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,9(12)15)14-10-13-8-5-3-4-7(8)6-16-10/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-methylpropanamide is sourced from PubChem (CID 106363151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).