(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C16H23N3O3S — CID 97138313

IUPAC(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O
InChIInChI=1S/C16H23N3O3S/c1-13(2)19-9-4-6-16(15(19)20)7-10-18(12-16)23(21,22)14-5-3-8-17-11-14/h3,5,8,11,13H,4,6-7,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyWJFVIVGIHBXCLU-MRXNPFEDSA-N
MW337.44 g/mol
LogP1.49
Rot. Bonds3

About (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97138313) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97138313
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O
InChIInChI=1S/C16H23N3O3S/c1-13(2)19-9-4-6-16(15(19)20)7-10-18(12-16)23(21,22)14-5-3-8-17-11-14/h3,5,8,11,13H,4,6-7,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyWJFVIVGIHBXCLU-MRXNPFEDSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72939411
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286966
(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97112572
(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97138589
2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135240
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
5-[(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 72853191
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97139553
2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72906621
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(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)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97138313) is (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O.
What is the InChIKey of (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WJFVIVGIHBXCLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13(2)19-9-4-6-16(15(19)20)7-10-18(12-16)23(21,22)14-5-3-8-17-11-14/h3,5,8,11,13H,4,6-7,9-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 337.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97138313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).