(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane

C14H20N2O3S — CID 164643311

IUPAC(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane
SMILESCO[C@H]1CCC12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C14H20N2O3S/c1-19-13-4-5-14(13)6-9-16(10-7-14)20(17,18)12-3-2-8-15-11-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t13-/m0/s1
InChIKeyGSZBPSOKHSOVHI-ZDUSSCGKSA-N
MW296.39 g/mol
LogP1.66
Rot. Bonds3

About (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane

(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane (PubChem CID 164643311) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane
PubChem CID164643311
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane
SMILESCO[C@H]1CCC12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C14H20N2O3S/c1-19-13-4-5-14(13)6-9-16(10-7-14)20(17,18)12-3-2-8-15-11-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t13-/m0/s1
InChIKeyGSZBPSOKHSOVHI-ZDUSSCGKSA-N
XLogP1.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane?
The IUPAC name of (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane (CID 164643311) is (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane?
The canonical SMILES for (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane is CO[C@H]1CCC12CCN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane?
The InChIKey is GSZBPSOKHSOVHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-13-4-5-14(13)6-9-16(10-7-14)20(17,18)12-3-2-8-15-11-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane?
(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane has a molecular weight of 296.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 164643311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).