1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane

C14H21N3O2S — CID 97412786

IUPAC1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C14H21N3O2S/c1-20(18,19)17-11-6-14(17)4-9-16(10-5-14)12-13-2-7-15-8-3-13/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyPHSFAIYVBFXVEH-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.08
Rot. Bonds3

About 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane

1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane (PubChem CID 97412786) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
PubChem CID97412786
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C14H21N3O2S/c1-20(18,19)17-11-6-14(17)4-9-16(10-5-14)12-13-2-7-15-8-3-13/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyPHSFAIYVBFXVEH-UHFFFAOYSA-N
XLogP1.08
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
1-(2-methylsulfonylethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682387
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
(2S)-2-methylsulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 94027968
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369827
6-[4-(methylsulfonylmethyl)phenyl]-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172843528
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane (CID 97412786) is 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC12CCN(Cc1ccncc1)CC2.
What is the InChIKey of 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The InChIKey is PHSFAIYVBFXVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-20(18,19)17-11-6-14(17)4-9-16(10-5-14)12-13-2-7-15-8-3-13/h2-3,7-8H,4-6,9-12H2,1H3.
What are the key properties of 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane?
1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane has a molecular weight of 295.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 97412786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).