6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one

C11H18N2O3S — CID 68756518

IUPAC6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCNCC2S(=O)(=O)C1CC1
InChIInChI=1S/C11H18N2O3S/c14-10-11(4-6-13-10)3-5-12-7-9(11)17(15,16)8-1-2-8/h8-9,12H,1-7H2,(H,13,14)
InChIKeyYVMPXYFAKFOBTH-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.57
Rot. Bonds2

About 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one

6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 68756518) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID68756518
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCNCC2S(=O)(=O)C1CC1
InChIInChI=1S/C11H18N2O3S/c14-10-11(4-6-13-10)3-5-12-7-9(11)17(15,16)8-1-2-8/h8-9,12H,1-7H2,(H,13,14)
InChIKeyYVMPXYFAKFOBTH-UHFFFAOYSA-N
XLogP-0.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one (CID 68756518) is 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCNCC2S(=O)(=O)C1CC1.
What is the InChIKey of 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YVMPXYFAKFOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10-11(4-6-13-10)3-5-12-7-9(11)17(15,16)8-1-2-8/h8-9,12H,1-7H2,(H,13,14).
What are the key properties of 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 258.34 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 68756518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).