3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide

C16H30N2O2S — CID 64939489

IUPAC3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
SMILESCCC1CNC2(CCCCC2)CN1C1CCCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O2S/c1-2-14-11-17-16(8-4-3-5-9-16)13-18(14)15-7-6-10-21(19,20)12-15/h14-15,17H,2-13H2,1H3
InChIKeyZFEWNCZJCTWZCA-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.95
Rot. Bonds2

About 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide

3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide (PubChem CID 64939489) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
PubChem CID64939489
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
SMILESCCC1CNC2(CCCCC2)CN1C1CCCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O2S/c1-2-14-11-17-16(8-4-3-5-9-16)13-18(14)15-7-6-10-21(19,20)12-15/h14-15,17H,2-13H2,1H3
InChIKeyZFEWNCZJCTWZCA-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-9-(oxan-4-yl)-6,9-diazaspiro[4.5]decane
CID 64936190
8-ethyl-9-(1-propylpiperidin-4-yl)-6,9-diazaspiro[4.5]decane
CID 64946301
3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64947281
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
CID 64925182
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932588
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64930017
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide (CID 64939489) is 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide is CCC1CNC2(CCCCC2)CN1C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide?
The InChIKey is ZFEWNCZJCTWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-14-11-17-16(8-4-3-5-9-16)13-18(14)15-7-6-10-21(19,20)12-15/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide?
3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide has a molecular weight of 314.50 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64939489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).