4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C13H26N2O3S — CID 165475814

IUPAC4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCCS(=O)(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-3-4-9-19(16,17)15-10-12(2)18-13(11-15)5-7-14-8-6-13/h12,14H,3-11H2,1-2H3
InChIKeyDHCFXIUWOAWZKB-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds4

About 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 165475814) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID165475814
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCCS(=O)(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-3-4-9-19(16,17)15-10-12(2)18-13(11-15)5-7-14-8-6-13/h12,14H,3-11H2,1-2H3
InChIKeyDHCFXIUWOAWZKB-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 165486972
1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
CID 165475741
1-butylsulfonylpiperazine
CID 16769079
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
2-propylsulfonyl-2,8-diazaspiro[4.5]decane
CID 83723515
1-butylsulfonyl-N-methylazetidin-3-amine
CID 91812394
1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 91910159
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
(3aS,6aR)-2-butylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679273
5-butylsulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210354
5-butylsulfonyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243357

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 165475814) is 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CCCCS(=O)(=O)N1CC(C)OC2(CCNCC2)C1.
What is the InChIKey of 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DHCFXIUWOAWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-4-9-19(16,17)15-10-12(2)18-13(11-15)5-7-14-8-6-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 165475814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).