1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one

C17H25NO3S2 — CID 90593830

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
SMILESCc1ccsc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H25NO3S2/c1-13-9-10-22-16(13)7-8-17(19)18-11-15(12-18)23(20,21)14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeySNFJBNQMNWREHJ-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one

1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one (PubChem CID 90593830) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
PubChem CID90593830
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
SMILESCc1ccsc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H25NO3S2/c1-13-9-10-22-16(13)7-8-17(19)18-11-15(12-18)23(20,21)14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeySNFJBNQMNWREHJ-UHFFFAOYSA-N
XLogP2.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one (CID 90593830) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one is Cc1ccsc1CCC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one?
The InChIKey is SNFJBNQMNWREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2/c1-13-9-10-22-16(13)7-8-17(19)18-11-15(12-18)23(20,21)14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one?
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one has a molecular weight of 355.53 g/mol, XLogP of 2.95, 5 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-(3-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 90593830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).