(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C16H23N3O3S — CID 97485089

IUPAC(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)18-10-3-6-16(8-11-18)7-5-15(20)19(16)13-14-4-2-9-17-12-14/h2,4,9,12H,3,5-8,10-11,13H2,1H3/t16-/m1/s1
InChIKeyDYIOSLYQFLMTJI-MRXNPFEDSA-N
MW337.44 g/mol
LogP1.39
Rot. Bonds3

About (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97485089) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97485089
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)18-10-3-6-16(8-11-18)7-5-15(20)19(16)13-14-4-2-9-17-12-14/h2,4,9,12H,3,5-8,10-11,13H2,1H3/t16-/m1/s1
InChIKeyDYIOSLYQFLMTJI-MRXNPFEDSA-N
XLogP1.39
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873266
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118743992
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119

Frequently Asked Questions

What is the IUPAC name of (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97485089) is (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is CS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1.
What is the InChIKey of (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DYIOSLYQFLMTJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-23(21,22)18-10-3-6-16(8-11-18)7-5-15(20)19(16)13-14-4-2-9-17-12-14/h2,4,9,12H,3,5-8,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 337.44 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 (5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97485089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).