2-pyrrolidin-3-ylthiazinane 1,1-dioxide

C8H16N2O2S — CID 83819748

IUPAC2-pyrrolidin-3-ylthiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1C1CCNC1
InChIInChI=1S/C8H16N2O2S/c11-13(12)6-2-1-5-10(13)8-3-4-9-7-8/h8-9H,1-7H2
InChIKeyLLQUPVQRRJCYBO-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.23
Rot. Bonds1

About 2-pyrrolidin-3-ylthiazinane 1,1-dioxide

2-pyrrolidin-3-ylthiazinane 1,1-dioxide (PubChem CID 83819748) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-pyrrolidin-3-ylthiazinane 1,1-dioxide
PubChem CID83819748
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-pyrrolidin-3-ylthiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1C1CCNC1
InChIInChI=1S/C8H16N2O2S/c11-13(12)6-2-1-5-10(13)8-3-4-9-7-8/h8-9H,1-7H2
InChIKeyLLQUPVQRRJCYBO-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyrrolidin-3-ylthiazinane 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 129409583
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
CID 106996411
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
2-(1,4-dioxaspiro[4.5]decan-8-yl)thiazinane 1,1-dioxide
CID 116816854
2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide
CID 116814629
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 129410504
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylthiazinane 1,1-dioxide?
The IUPAC name of 2-pyrrolidin-3-ylthiazinane 1,1-dioxide (CID 83819748) is 2-pyrrolidin-3-ylthiazinane 1,1-dioxide.
What is the SMILES notation for 2-pyrrolidin-3-ylthiazinane 1,1-dioxide?
The canonical SMILES for 2-pyrrolidin-3-ylthiazinane 1,1-dioxide is O=S1(=O)CCCCN1C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylthiazinane 1,1-dioxide?
The InChIKey is LLQUPVQRRJCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c11-13(12)6-2-1-5-10(13)8-3-4-9-7-8/h8-9H,1-7H2.
What are the key properties of 2-pyrrolidin-3-ylthiazinane 1,1-dioxide?
2-pyrrolidin-3-ylthiazinane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylthiazinane 1,1-dioxide is sourced from PubChem (CID 83819748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).