7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane

C18H21N3O2S — CID 3235527

IUPAC7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C18H21N3O2S/c22-24(23,16-6-2-1-3-7-16)21-12-9-18(10-13-21)14-20(15-18)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2
InChIKeyYLKFQKPLNMHTFX-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.37
Rot. Bonds3

About 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane

7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 3235527) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID3235527
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C18H21N3O2S/c22-24(23,16-6-2-1-3-7-16)21-12-9-18(10-13-21)14-20(15-18)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2
InChIKeyYLKFQKPLNMHTFX-UHFFFAOYSA-N
XLogP2.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
CID 123981470
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3235148

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane (CID 3235527) is 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane is O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccccn1)C2.
What is the InChIKey of 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is YLKFQKPLNMHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,16-6-2-1-3-7-16)21-12-9-18(10-13-21)14-20(15-18)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2.
What are the key properties of 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 343.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3235527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).