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

C10H17N3OS — CID 106362894

IUPAC2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide
SMILESCC(NC1=NC2CCCC2CS1)C(N)=O
InChIInChI=1S/C10H17N3OS/c1-6(9(11)14)12-10-13-8-4-2-3-7(8)5-15-10/h6-8H,2-5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyBSDDZOIHWPZZHI-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.72
Rot. Bonds2

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

2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide (PubChem CID 106362894) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide
PubChem CID106362894
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide
SMILESCC(NC1=NC2CCCC2CS1)C(N)=O
InChIInChI=1S/C10H17N3OS/c1-6(9(11)14)12-10-13-8-4-2-3-7(8)5-15-10/h6-8H,2-5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyBSDDZOIHWPZZHI-UHFFFAOYSA-N
XLogP0.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.72
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)propanamide?
The IUPAC name of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide (CID 106362894) is 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide.
What is the SMILES notation for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide?
The canonical SMILES for 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide is CC(NC1=NC2CCCC2CS1)C(N)=O.
What is the InChIKey of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide?
The InChIKey is BSDDZOIHWPZZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(9(11)14)12-10-13-8-4-2-3-7(8)5-15-10/h6-8H,2-5H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide?
2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)propanamide has a molecular weight of 227.33 g/mol, XLogP of 0.72, 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)propanamide is sourced from PubChem (CID 106362894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).