1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one

C9H17N3O3S — CID 2811187

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N3O3S/c13-9-10-1-2-12(9)4-3-11-5-7-16(14,15)8-6-11/h1-8H2,(H,10,13)
InChIKeyPIYOYTHPCCPYKC-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.26
Rot. Bonds3

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one (PubChem CID 2811187) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one
PubChem CID2811187
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N3O3S/c13-9-10-1-2-12(9)4-3-11-5-7-16(14,15)8-6-11/h1-8H2,(H,10,13)
InChIKeyPIYOYTHPCCPYKC-UHFFFAOYSA-N
XLogP-1.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Thiomorpholin-4-yl)ethyl]imidazolidin-2-one
CID 56773865
1-(1,1-Dioxothiolan-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 47237226
N-(2-ethylsulfonylethyl)pyrrolidine-1-carboxamide
CID 60235265
(1,1-Dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone
CID 43581374
(1-Oxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone
CID 61555240
1-(2-Methylsulfonylethyl)imidazolidin-2-one
CID 69250376
1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide
CID 71036856
N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 115612253
1-(2-Methylsulfonylethyl)imidazolidin-2-one;hydrochloride
CID 141882413
1,4-Diazepan-1-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 143680694
N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide;isocyanatoethane
CID 159295806
1-[2-(1,1-Dioxo-1,4-thiazinan-4-ium-4-yl)ethyl]imidazolidin-2-one
CID 7189388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one (CID 2811187) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one?
The InChIKey is PIYOYTHPCCPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c13-9-10-1-2-12(9)4-3-11-5-7-16(14,15)8-6-11/h1-8H2,(H,10,13).
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one has a molecular weight of 247.32 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 2811187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).