7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

C13H19N3O2S — CID 3234316

IUPAC7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccncc1)C2
InChIInChI=1S/C13H19N3O2S/c1-19(17,18)16-8-4-13(5-9-16)10-15(11-13)12-2-6-14-7-3-12/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyWEDGSLIEZXGZBN-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.94
Rot. Bonds2

About 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 3234316) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
PubChem CID3234316
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccncc1)C2
InChIInChI=1S/C13H19N3O2S/c1-19(17,18)16-8-4-13(5-9-16)10-15(11-13)12-2-6-14-7-3-12/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyWEDGSLIEZXGZBN-UHFFFAOYSA-N
XLogP0.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 4-(4-methyl-1-piperidinyl)-
CID 157352
3-(Benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3233890
9-Methylsulfonyl-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3233964
9-(Benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3234057
9-Methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 3234061
7-(Benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
CID 3234191
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151
4-(4-Methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride
CID 54772059
(5S)-7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3233815
7-Methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3234846
7-Methylsulfonyl-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane
CID 3235141
3-Methylsulfonyl-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3235417

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (CID 3234316) is 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(c1ccncc1)C2.
What is the InChIKey of 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is WEDGSLIEZXGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-19(17,18)16-8-4-13(5-9-16)10-15(11-13)12-2-6-14-7-3-12/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 281.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3234316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).