(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone

C14H19NO3S2 — CID 71809289

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C14H19NO3S2/c16-14(11-6-7-19-10-11)15-8-13(9-15)20(17,18)12-4-2-1-3-5-12/h6-7,10,12-13H,1-5,8-9H2
InChIKeyZSXWFPSBOLHOAQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.32
Rot. Bonds3

About (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone

(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 71809289) has the molecular formula C14H19NO3S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone
PubChem CID71809289
Molecular FormulaC14H19NO3S2
Molecular Weight313.44 g/mol
Exact Mass313.08
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C14H19NO3S2/c16-14(11-6-7-19-10-11)15-8-13(9-15)20(17,18)12-4-2-1-3-5-12/h6-7,10,12-13H,1-5,8-9H2
InChIKeyZSXWFPSBOLHOAQ-UHFFFAOYSA-N
XLogP2.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
CID 71809293
(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-thiophen-3-ylmethanone
CID 110196117
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
1-(3-cyclohexylsulfonylazetidin-1-yl)-4-phenylbutane-1,4-dione
CID 90593882
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
CID 90593830
2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83198257
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one
CID 90593934

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone (CID 71809289) is (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is ZSXWFPSBOLHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S2/c16-14(11-6-7-19-10-11)15-8-13(9-15)20(17,18)12-4-2-1-3-5-12/h6-7,10,12-13H,1-5,8-9H2.
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone?
(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 313.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 71809289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).