(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C17H22N2O3S — CID 124820093

IUPAC(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(CN(S(=O)(=O)C3CC3)C[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O3S/c1-18-10-9-17(16(18)20)12-19(23(21,22)14-7-8-14)11-15(17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t15-,17+/m1/s1
InChIKeySERSOVMWQULNJH-WBVHZDCISA-N
MW334.44 g/mol
LogP1.43
Rot. Bonds3

About (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124820093) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124820093
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(CN(S(=O)(=O)C3CC3)C[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O3S/c1-18-10-9-17(16(18)20)12-19(23(21,22)14-7-8-14)11-15(17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t15-,17+/m1/s1
InChIKeySERSOVMWQULNJH-WBVHZDCISA-N
XLogP1.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512
(5R,9R)-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155850679
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310
(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
CID 97143928
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723
(5R)-9-cyclopropylsulfonyl-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360418
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 124820093) is (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@@]2(CN(S(=O)(=O)C3CC3)C[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is SERSOVMWQULNJH-WBVHZDCISA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18-10-9-17(16(18)20)12-19(23(21,22)14-7-8-14)11-15(17)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 334.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124820093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).