(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

C18H25NO3S — CID 4110791

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CC(C)CC(C)C3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-13-4-6-16(7-5-13)23(21,22)18(8-9-18)17(20)19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3
InChIKeyADXAKMDFZDSWIX-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.81
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (PubChem CID 4110791) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
PubChem CID4110791
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CC(C)CC(C)C3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-13-4-6-16(7-5-13)23(21,22)18(8-9-18)17(20)19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3
InChIKeyADXAKMDFZDSWIX-UHFFFAOYSA-N
XLogP2.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 15997169
1-[1-(4-methylphenyl)sulfonylcyclopentanecarbonyl]piperidine-4-carboxylic acid
CID 119349604
[1-(4-methylphenyl)sulfonylcyclopropyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22429104
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4305804
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone
CID 51340161
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one
CID 8742764
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (CID 4110791) is (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CC(C)CC(C)C3)CC2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The InChIKey is ADXAKMDFZDSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-13-4-6-16(7-5-13)23(21,22)18(8-9-18)17(20)19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone has a molecular weight of 335.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is sourced from PubChem (CID 4110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).