8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C11H21NO4S — CID 17377912

IUPAC8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-2-3-10-17(13,14)12-6-4-11(5-7-12)15-8-9-16-11/h2-10H2,1H3
InChIKeyCKQFKXPJRVJRIO-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.96
Rot. Bonds4

About 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 17377912) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID17377912
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-2-3-10-17(13,14)12-6-4-11(5-7-12)15-8-9-16-11/h2-10H2,1H3
InChIKeyCKQFKXPJRVJRIO-UHFFFAOYSA-N
XLogP0.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103638881
[3-(hydroxymethyl)-9-octylsulfonyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
CID 102324781
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-butylsulfonyl-4-methylazepan-4-ol
CID 107407120
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
CID 171348273
3,3-dimethyl-9-propylsulfonyl-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecane
CID 171354931
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-butylsulfonylpiperazine
CID 16769079
4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine
CID 110637889
1-tert-butyl-4-butylsulfonylpiperazine
CID 113074851
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404

Frequently Asked Questions

What is the IUPAC name of 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 17377912) is 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CCCCS(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is CKQFKXPJRVJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-10-17(13,14)12-6-4-11(5-7-12)15-8-9-16-11/h2-10H2,1H3.
What are the key properties of 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 263.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 17377912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).