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

C13H21N3OS — CID 106363383

IUPAC5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2=NC3CCCC3CS2)CCC1=O
InChIInChI=1S/C13H21N3OS/c1-16-7-10(5-6-12(16)17)14-13-15-11-4-2-3-9(11)8-18-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyWCISDRSIXBFPDX-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.47
Rot. Bonds1

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

5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one (PubChem CID 106363383) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one
PubChem CID106363383
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2=NC3CCCC3CS2)CCC1=O
InChIInChI=1S/C13H21N3OS/c1-16-7-10(5-6-12(16)17)14-13-15-11-4-2-3-9(11)8-18-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyWCISDRSIXBFPDX-UHFFFAOYSA-N
XLogP1.47
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one (CID 106363383) is 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one is CN1CC(NC2=NC3CCCC3CS2)CCC1=O.
What is the InChIKey of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one?
The InChIKey is WCISDRSIXBFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-16-7-10(5-6-12(16)17)14-13-15-11-4-2-3-9(11)8-18-13/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one?
5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one has a molecular weight of 267.40 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 106363383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).