(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane

C12H24N2O2S — CID 97449155

IUPAC(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)N1CCC[C@@]2(CCCNC2)C1
InChIInChI=1S/C12H24N2O2S/c1-11(2)17(15,16)14-8-4-6-12(10-14)5-3-7-13-9-12/h11,13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyKZCCEBPIODHWBU-GFCCVEGCSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds2

About (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane

(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 97449155) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID97449155
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)N1CCC[C@@]2(CCCNC2)C1
InChIInChI=1S/C12H24N2O2S/c1-11(2)17(15,16)14-8-4-6-12(10-14)5-3-7-13-9-12/h11,13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyKZCCEBPIODHWBU-GFCCVEGCSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane (CID 97449155) is (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane is CC(C)S(=O)(=O)N1CCC[C@@]2(CCCNC2)C1.
What is the InChIKey of (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is KZCCEBPIODHWBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(2)17(15,16)14-8-4-6-12(10-14)5-3-7-13-9-12/h11,13H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane?
(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 260.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97449155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).