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

C12H21N3OS — CID 106362997

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1=NC2CCCC2CS1
InChIInChI=1S/C12H21N3OS/c1-3-13-11(16)8(2)14-12-15-10-6-4-5-9(10)7-17-12/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyUXQDYZZIABLXKE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.37
Rot. Bonds3

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

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide (PubChem CID 106362997) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide
PubChem CID106362997
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1=NC2CCCC2CS1
InChIInChI=1S/C12H21N3OS/c1-3-13-11(16)8(2)14-12-15-10-6-4-5-9(10)7-17-12/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyUXQDYZZIABLXKE-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.37
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)-N-ethylpropanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide (CID 106362997) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide is CCNC(=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-ethylpropanamide?
The InChIKey is UXQDYZZIABLXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-13-11(16)8(2)14-12-15-10-6-4-5-9(10)7-17-12/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-N-ethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.37, 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-ethylpropanamide is sourced from PubChem (CID 106362997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).