8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C11H21NO3S — CID 178124105

IUPAC8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)S(=O)(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO3S/c1-10(2)16(13,14)12-7-5-11(6-8-12)4-3-9-15-11/h10H,3-9H2,1-2H3
InChIKeyHIUIQZUXQSDTPA-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.37
Rot. Bonds2

About 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane

8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 178124105) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID178124105
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)S(=O)(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO3S/c1-10(2)16(13,14)12-7-5-11(6-8-12)4-3-9-15-11/h10H,3-9H2,1-2H3
InChIKeyHIUIQZUXQSDTPA-UHFFFAOYSA-N
XLogP1.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118739210
9-Propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 110203881
(3R)-1-(oxan-4-ylmethylsulfonyl)-3-pentan-3-ylpyrrolidine
CID 97574975
1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidine
CID 97982598
7-Ethylsulfonyl-1-oxa-7-azaspiro[3.5]nonane
CID 137955600
8-Ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 134689176
8-Cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131661979
8-Cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 133140494
8-Hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 91375655
4-Methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine
CID 127292025
4-Methyl-1-(oxolan-3-ylsulfonyl)piperidine
CID 127320297

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 178124105) is 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CC(C)S(=O)(=O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HIUIQZUXQSDTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(2)16(13,14)12-7-5-11(6-8-12)4-3-9-15-11/h10H,3-9H2,1-2H3.
What are the key properties of 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 247.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 178124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).