(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C15H21N3O3S — CID 97469575

IUPAC(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2cccnc2)CC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-14(19)13(12-4-3-7-16-11-12)10-15(17)5-8-18(9-6-15)22(2,20)21/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyHUZDWYKGYKNCPO-CYBMUJFWSA-N
MW323.42 g/mol
LogP0.82
Rot. Bonds2

About (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469575) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469575
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2cccnc2)CC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-14(19)13(12-4-3-7-16-11-12)10-15(17)5-8-18(9-6-15)22(2,20)21/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m1/s1
InChIKeyHUZDWYKGYKNCPO-CYBMUJFWSA-N
XLogP0.82
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469575) is (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@@H](c2cccnc2)CC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HUZDWYKGYKNCPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17-14(19)13(12-4-3-7-16-11-12)10-15(17)5-8-18(9-6-15)22(2,20)21/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 323.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).