4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide

C14H26N2O2S — CID 64943746

IUPAC4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCNC3(CCCC3)C2)CC1
InChIInChI=1S/C14H26N2O2S/c17-19(18)10-4-13(5-11-19)16-9-3-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2
InChIKeyQQMNCPPXJYUFJQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.17
Rot. Bonds1

About 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide

4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide (PubChem CID 64943746) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
PubChem CID64943746
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCNC3(CCCC3)C2)CC1
InChIInChI=1S/C14H26N2O2S/c17-19(18)10-4-13(5-11-19)16-9-3-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2
InChIKeyQQMNCPPXJYUFJQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide (CID 64943746) is 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide is O=S1(=O)CCC(N2CCCNC3(CCCC3)C2)CC1.
What is the InChIKey of 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
The InChIKey is QQMNCPPXJYUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)10-4-13(5-11-19)16-9-3-8-15-14(12-16)6-1-2-7-14/h13,15H,1-12H2.
What are the key properties of 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide?
4-(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 4-(6,10-diazaspiro[4.6]undecan-10-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64943746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).