7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane

C14H19N3O2S — CID 97472635

IUPAC7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CCC2(CN(c3ccccn3)C2)C1
InChIInChI=1S/C14H19N3O2S/c18-20(19,12-4-5-12)17-8-6-14(11-17)9-16(10-14)13-3-1-2-7-15-13/h1-3,7,12H,4-6,8-11H2
InChIKeyAIIYCMMCFMBRDE-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.09
Rot. Bonds3

About 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane

7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97472635) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97472635
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CCC2(CN(c3ccccn3)C2)C1
InChIInChI=1S/C14H19N3O2S/c18-20(19,12-4-5-12)17-8-6-14(11-17)9-16(10-14)13-3-1-2-7-15-13/h1-3,7,12H,4-6,8-11H2
InChIKeyAIIYCMMCFMBRDE-UHFFFAOYSA-N
XLogP1.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268161
9-Methylsulfonyl-2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3235321
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
3-Methylsulfonyl-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane
CID 3232781
7-Methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3234846
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
7-(Benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
1-(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane
CID 5268164
N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 4788794
US11414402, Example 28
CID 137352872
2-Cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359911

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane (CID 97472635) is 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane is O=S(=O)(C1CC1)N1CCC2(CN(c3ccccn3)C2)C1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is AIIYCMMCFMBRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-20(19,12-4-5-12)17-8-6-14(11-17)9-16(10-14)13-3-1-2-7-15-13/h1-3,7,12H,4-6,8-11H2.
What are the key properties of 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane?
7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 293.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).