(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C10H18N2O3S — CID 66032292

IUPAC(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCC(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H18N2O3S/c11-9-2-1-8(7-9)10(13)12-3-5-16(14,15)6-4-12/h8-9H,1-7,11H2
InChIKeyXKGGNBGIOKSIKK-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.63
Rot. Bonds1

About (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 66032292) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID66032292
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCC(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H18N2O3S/c11-9-2-1-8(7-9)10(13)12-3-5-16(14,15)6-4-12/h8-9H,1-7,11H2
InChIKeyXKGGNBGIOKSIKK-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119807906
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclopentyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 66009012
[(1S,3R)-3-aminocyclopentyl]-(4,4-difluoropiperidin-1-yl)methanone;hydrochloride
CID 154910969
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 66032292) is (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is NC1CCC(C(=O)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is XKGGNBGIOKSIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-9-2-1-8(7-9)10(13)12-3-5-16(14,15)6-4-12/h8-9H,1-7,11H2.
What are the key properties of (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 66032292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).