7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane

C13H25NO3S — CID 100720417

IUPAC7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane
SMILESCO[C@H](C)CS(=O)(=O)N1CCCC2(CCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-12(17-2)10-18(15,16)14-9-5-8-13(11-14)6-3-4-7-13/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyHAGGRUBZTFQKAZ-GFCCVEGCSA-N
MW275.41 g/mol
LogP2.01
Rot. Bonds4

About 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane

7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane (PubChem CID 100720417) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane
PubChem CID100720417
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane
SMILESCO[C@H](C)CS(=O)(=O)N1CCCC2(CCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-12(17-2)10-18(15,16)14-9-5-8-13(11-14)6-3-4-7-13/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyHAGGRUBZTFQKAZ-GFCCVEGCSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane?
The IUPAC name of 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane (CID 100720417) is 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane.
What is the SMILES notation for 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane?
The canonical SMILES for 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane is CO[C@H](C)CS(=O)(=O)N1CCCC2(CCCC2)C1.
What is the InChIKey of 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane?
The InChIKey is HAGGRUBZTFQKAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-12(17-2)10-18(15,16)14-9-5-8-13(11-14)6-3-4-7-13/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane?
7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane has a molecular weight of 275.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-methoxypropyl]sulfonyl-7-azaspiro[4.5]decane is sourced from PubChem (CID 100720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).