1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one

C18H25NO3S2 — CID 71809303

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C18H25NO3S2/c20-18(11-12-23-15-7-3-1-4-8-15)19-13-17(14-19)24(21,22)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyUJPVYJMKAGUQSM-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.13
Rot. Bonds6

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one

1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one (PubChem CID 71809303) has the molecular formula C18H25NO3S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one
PubChem CID71809303
Molecular FormulaC18H25NO3S2
Molecular Weight367.54 g/mol
Exact Mass367.13
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C18H25NO3S2/c20-18(11-12-23-15-7-3-1-4-8-15)19-13-17(14-19)24(21,22)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyUJPVYJMKAGUQSM-UHFFFAOYSA-N
XLogP3.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
1-(Azepan-1-yl)-2-(benzenesulfonyl)ethanone
CID 851316
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 18105480
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
1-[4-(Phenylsulfonyl)piperazinyl]-2-phenylthioethan-1-one
CID 2640467
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide
CID 2765506
3-(Benzenesulfonyl)-1-{4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl}propan-1-one
CID 16807501
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
Cyclopropyl(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone
CID 71809176
2-fluoro-N-(3-(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)-3-oxopropyl)benzenesulfonamide
CID 71809222

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one (CID 71809303) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one?
The InChIKey is UJPVYJMKAGUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S2/c20-18(11-12-23-15-7-3-1-4-8-15)19-13-17(14-19)24(21,22)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one?
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one has a molecular weight of 367.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 71809303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).