(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone

C16H21ClN2O3S — CID 97393507

IUPAC(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2O3S/c1-23(21,22)19-11-3-9-16(19)8-2-10-18(12-16)15(20)13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3/t16-/m0/s1
InChIKeyVPSAQXWSAOJMJL-INIZCTEOSA-N
MW356.88 g/mol
LogP2.37
Rot. Bonds2

About (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone

(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone (PubChem CID 97393507) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
PubChem CID97393507
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2O3S/c1-23(21,22)19-11-3-9-16(19)8-2-10-18(12-16)15(20)13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3/t16-/m0/s1
InChIKeyVPSAQXWSAOJMJL-INIZCTEOSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680658
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone (CID 97393507) is (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone is CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone?
The InChIKey is VPSAQXWSAOJMJL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-23(21,22)19-11-3-9-16(19)8-2-10-18(12-16)15(20)13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3/t16-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone?
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone has a molecular weight of 356.88 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97393507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).