7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane

C15H23N3O2S — CID 131641729

IUPAC7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
SMILESCc1cccc(CN2CCC3(CCCN3S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)11-17-10-8-15(12-17)7-4-9-18(15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3
InChIKeyBJGNZYVNYHYWIW-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.39
Rot. Bonds3

About 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane

7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane (PubChem CID 131641729) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
PubChem CID131641729
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
SMILESCc1cccc(CN2CCC3(CCCN3S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)11-17-10-8-15(12-17)7-4-9-18(15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3
InChIKeyBJGNZYVNYHYWIW-UHFFFAOYSA-N
XLogP1.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 131645591
9-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155826477
9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131639239
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155833051
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane (CID 131641729) is 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane is Cc1cccc(CN2CCC3(CCCN3S(C)(=O)=O)C2)n1.
What is the InChIKey of 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane?
The InChIKey is BJGNZYVNYHYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-13-5-3-6-14(16-13)11-17-10-8-15(12-17)7-4-9-18(15)21(2,19)20/h3,5-6H,4,7-12H2,1-2H3.
What are the key properties of 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane?
7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane has a molecular weight of 309.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 131641729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).