7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

C18H21N3O2S — CID 3234191

IUPAC7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2
InChIInChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-12-8-18(9-13-21)14-20(15-18)16-6-10-19-11-7-16/h1-7,10-11H,8-9,12-15H2
InChIKeyWJYGGQFASPHFTF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.37
Rot. Bonds3

About 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 3234191) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
PubChem CID3234191
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2
InChIInChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-12-8-18(9-13-21)14-20(15-18)16-6-10-19-11-7-16/h1-7,10-11H,8-9,12-15H2
InChIKeyWJYGGQFASPHFTF-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

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
Piperazine moiety, 3
CID 57339811
1-Isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 325375
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
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

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (CID 3234191) is 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane is O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2.
What is the InChIKey of 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is WJYGGQFASPHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-12-8-18(9-13-21)14-20(15-18)16-6-10-19-11-7-16/h1-7,10-11H,8-9,12-15H2.
What are the key properties of 7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-pyridin-4-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-4-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3234191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).