2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane

C13H25NO2S — CID 175627410

IUPAC2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane
SMILESCCC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-4-12-9-13(10-12)5-7-14(8-6-13)17(15,16)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyBFGGHYGDVJKKAR-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.63
Rot. Bonds3

About 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane

2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane (PubChem CID 175627410) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane
PubChem CID175627410
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane
SMILESCCC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-4-12-9-13(10-12)5-7-14(8-6-13)17(15,16)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyBFGGHYGDVJKKAR-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane (CID 175627410) is 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane is CCC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1.
What is the InChIKey of 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane?
The InChIKey is BFGGHYGDVJKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-4-12-9-13(10-12)5-7-14(8-6-13)17(15,16)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane?
2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane has a molecular weight of 259.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 175627410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).