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

C13H21N3OS — CID 106363614

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide
SMILESCC(NC1=NC2CCCC2CS1)C(=O)NC1CC1
InChIInChI=1S/C13H21N3OS/c1-8(12(17)15-10-5-6-10)14-13-16-11-4-2-3-9(11)7-18-13/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQTRVMXZOOODVFF-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.51
Rot. Bonds3

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

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide (PubChem CID 106363614) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide
PubChem CID106363614
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide
SMILESCC(NC1=NC2CCCC2CS1)C(=O)NC1CC1
InChIInChI=1S/C13H21N3OS/c1-8(12(17)15-10-5-6-10)14-13-16-11-4-2-3-9(11)7-18-13/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQTRVMXZOOODVFF-UHFFFAOYSA-N
XLogP1.51
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide 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-cyclopropylpropanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide (CID 106363614) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide is CC(NC1=NC2CCCC2CS1)C(=O)NC1CC1.
What is the InChIKey of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide?
The InChIKey is QTRVMXZOOODVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(12(17)15-10-5-6-10)14-13-16-11-4-2-3-9(11)7-18-13/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-cyclopropylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 1.51, 3 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-cyclopropylpropanamide is sourced from PubChem (CID 106363614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).