4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C10H20N2O3S — CID 58245205

IUPAC4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)S(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C10H20N2O3S/c1-9(2)16(13,14)12-7-8-15-10(12)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyQKMUTKKOCWIFNV-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.14
Rot. Bonds2

About 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245205) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245205
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)S(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C10H20N2O3S/c1-9(2)16(13,14)12-7-8-15-10(12)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyQKMUTKKOCWIFNV-UHFFFAOYSA-N
XLogP0.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245205) is 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CC(C)S(=O)(=O)N1CCOC12CCNCC2.
What is the InChIKey of 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is QKMUTKKOCWIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2)16(13,14)12-7-8-15-10(12)3-5-11-6-4-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 248.35 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).