9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane

C13H26N2O2S — CID 65097156

IUPAC9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)CCCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)11-5-9-15-10-8-14-13(12-15)6-3-4-7-13/h14H,2-12H2,1H3
InChIKeyKPANKKWOFOYSSL-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds5

About 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane

9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 65097156) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID65097156
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)CCCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)11-5-9-15-10-8-14-13(12-15)6-3-4-7-13/h14H,2-12H2,1H3
InChIKeyKPANKKWOFOYSSL-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458471
11-pentyl-7,11-diazaspiro[5.6]dodecane
CID 64859042
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79351240
11-nonyl-7,11-diazaspiro[5.6]dodecane
CID 64857646
11-hexyl-7,11-diazaspiro[5.6]dodecane
CID 64859041
11-octyl-7,11-diazaspiro[5.6]dodecane
CID 64859395
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277
9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 79550121
11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64857663
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
CID 79550124

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane (CID 65097156) is 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane is CCS(=O)(=O)CCCN1CCNC2(CCCC2)C1.
What is the InChIKey of 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is KPANKKWOFOYSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-18(16,17)11-5-9-15-10-8-14-13(12-15)6-3-4-7-13/h14H,2-12H2,1H3.
What are the key properties of 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 274.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65097156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).