2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C16H25N3O2S — CID 97449549

IUPAC2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C16H25N3O2S/c1-2-22(20,21)19-12-8-16(14-19)6-10-18(11-7-16)13-15-5-3-4-9-17-15/h3-5,9H,2,6-8,10-14H2,1H3
InChIKeyBBWCRTTXSNKEAQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.72
Rot. Bonds4

About 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 97449549) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID97449549
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C16H25N3O2S/c1-2-22(20,21)19-12-8-16(14-19)6-10-18(11-7-16)13-15-5-3-4-9-17-15/h3-5,9H,2,6-8,10-14H2,1H3
InChIKeyBBWCRTTXSNKEAQ-UHFFFAOYSA-N
XLogP1.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155855463
2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 98587801
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
9-ethylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451062
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 167759057
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 97449549) is 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is BBWCRTTXSNKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-22(20,21)19-12-8-16(14-19)6-10-18(11-7-16)13-15-5-3-4-9-17-15/h3-5,9H,2,6-8,10-14H2,1H3.
What are the key properties of 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 323.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97449549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).