1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone

C10H18N2O3S — CID 58735493

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S/c13-10(7-9-1-2-11-8-9)12-3-5-16(14,15)6-4-12/h9,11H,1-8H2
InChIKeyNWRSULPMNRMWAJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.76
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 58735493) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone
PubChem CID58735493
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S/c13-10(7-9-1-2-11-8-9)12-3-5-16(14,15)6-4-12/h9,11H,1-8H2
InChIKeyNWRSULPMNRMWAJ-UHFFFAOYSA-N
XLogP-0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone (CID 58735493) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is NWRSULPMNRMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(7-9-1-2-11-8-9)12-3-5-16(14,15)6-4-12/h9,11H,1-8H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 246.33 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 58735493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).