3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide

C14H26N2O2S — CID 64949025

IUPAC3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCNC3(CCCC3)C2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)10-3-5-13(11-19)16-9-4-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2
InChIKeyPOMFELXTUJLUAQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.17
Rot. Bonds1

About 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide

3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide (PubChem CID 64949025) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
PubChem CID64949025
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCNC3(CCCC3)C2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)10-3-5-13(11-19)16-9-4-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2
InChIKeyPOMFELXTUJLUAQ-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 115051330
CID 115051330
CID 115053350
CID 115053350
CID 115101691
CID 115101691
CID 170241813
CID 170241813
CID 24264605
CID 24264605
CID 43511576
CID 43511576
CID 43581319
CID 43581319
CID 43679715
CID 43679715
CID 43679717
CID 43679717
CID 43679719
CID 43679719
CID 54973485
CID 54973485
CID 54982901
CID 54982901

Frequently Asked Questions

What is the IUPAC name of 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide (CID 64949025) is 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(N2CCCNC3(CCCC3)C2)C1.
What is the InChIKey of 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The InChIKey is POMFELXTUJLUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)10-3-5-13(11-19)16-9-4-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2.
What are the key properties of 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64949025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).