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

C13H23N3OS — CID 106363002

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC2CCCC2CS1
InChIInChI=1S/C13H23N3OS/c1-3-7-14-12(17)9(2)15-13-16-11-6-4-5-10(11)8-18-13/h9-11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRTYXWGOVXZLPBI-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.76
Rot. Bonds4

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

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide (PubChem CID 106363002) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide
PubChem CID106363002
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC2CCCC2CS1
InChIInChI=1S/C13H23N3OS/c1-3-7-14-12(17)9(2)15-13-16-11-6-4-5-10(11)8-18-13/h9-11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRTYXWGOVXZLPBI-UHFFFAOYSA-N
XLogP1.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide (CID 106363002) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC1=NC2CCCC2CS1.
What is the InChIKey of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide?
The InChIKey is RTYXWGOVXZLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-7-14-12(17)9(2)15-13-16-11-6-4-5-10(11)8-18-13/h9-11H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-propylpropanamide has a molecular weight of 269.41 g/mol, XLogP of 1.76, 4 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)-N-propylpropanamide is sourced from PubChem (CID 106363002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).