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

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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).