2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C11H20N2O2S — CID 64677411

IUPAC2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESNC1(CC(=O)N2CCS(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O2S/c12-11(3-1-2-4-11)9-10(14)13-5-7-16(15)8-6-13/h1-9,12H2
InChIKeyGGNXUUZKZQLGAZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.24
Rot. Bonds2

About 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 64677411) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID64677411
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESNC1(CC(=O)N2CCS(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O2S/c12-11(3-1-2-4-11)9-10(14)13-5-7-16(15)8-6-13/h1-9,12H2
InChIKeyGGNXUUZKZQLGAZ-UHFFFAOYSA-N
XLogP0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 79844053
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentan-1-amine
CID 64677709

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 64677411) is 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is NC1(CC(=O)N2CCS(=O)CC2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is GGNXUUZKZQLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-11(3-1-2-4-11)9-10(14)13-5-7-16(15)8-6-13/h1-9,12H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 244.36 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 64677411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).