3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide

C15H28N2O2S — CID 64951593

IUPAC3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCNC3(CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)11-4-6-14(12-20)17-10-5-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2
InChIKeyLHOBRSXQHPCNLN-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.56
Rot. Bonds1

About 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide

3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide (PubChem CID 64951593) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
PubChem CID64951593
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCNC3(CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)11-4-6-14(12-20)17-10-5-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2
InChIKeyLHOBRSXQHPCNLN-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide (CID 64951593) is 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(N2CCCNC3(CCCCC3)C2)C1.
What is the InChIKey of 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The InChIKey is LHOBRSXQHPCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c18-20(19)11-4-6-14(12-20)17-10-5-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2.
What are the key properties of 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide has a molecular weight of 300.47 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64951593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).