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

C19H28N2O3S — CID 97393532

IUPAC[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-6-16-7-9-17(10-8-16)18(22)20-13-4-11-19(15-20)12-5-14-21(19)25(2,23)24/h7-10H,3-6,11-15H2,1-2H3/t19-/m0/s1
InChIKeyZVUQOXNBUHEJSS-IBGZPJMESA-N
MW364.51 g/mol
LogP2.67
Rot. Bonds4

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

[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone (PubChem CID 97393532) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
PubChem CID97393532
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-6-16-7-9-17(10-8-16)18(22)20-13-4-11-19(15-20)12-5-14-21(19)25(2,23)24/h7-10H,3-6,11-15H2,1-2H3/t19-/m0/s1
InChIKeyZVUQOXNBUHEJSS-IBGZPJMESA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(4-propylphenyl)phenyl]methanone
CID 56891115
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693

Frequently Asked Questions

What is the IUPAC name of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone?
The IUPAC name of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone (CID 97393532) is [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1.
What is the InChIKey of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone?
The InChIKey is ZVUQOXNBUHEJSS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-6-16-7-9-17(10-8-16)18(22)20-13-4-11-19(15-20)12-5-14-21(19)25(2,23)24/h7-10H,3-6,11-15H2,1-2H3/t19-/m0/s1.
What are the key properties of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone?
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone has a molecular weight of 364.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 97393532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).