[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride

C23H27ClN2O2S — CID 161175679

IUPAC[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride
SMILESCC(C)(CCC(C#N)(c1ccccc1)c1ccccc1)N1CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C23H27ClN2O2S/c1-22(2,26-15-19(16-26)17-29(24,27)28)13-14-23(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-17H2,1-2H3
InChIKeyURTTZBAYHDRPRS-UHFFFAOYSA-N
MW431.00 g/mol
LogP4.56
Rot. Bonds8

About [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride

[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride (PubChem CID 161175679) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride
PubChem CID161175679
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride
SMILESCC(C)(CCC(C#N)(c1ccccc1)c1ccccc1)N1CC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C23H27ClN2O2S/c1-22(2,26-15-19(16-26)17-29(24,27)28)13-14-23(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-17H2,1-2H3
InChIKeyURTTZBAYHDRPRS-UHFFFAOYSA-N
XLogP4.56
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.00
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride (CID 161175679) is [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride is CC(C)(CCC(C#N)(c1ccccc1)c1ccccc1)N1CC(CS(=O)(=O)Cl)C1.
What is the InChIKey of [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride?
The InChIKey is URTTZBAYHDRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c1-22(2,26-15-19(16-26)17-29(24,27)28)13-14-23(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-17H2,1-2H3.
What are the key properties of [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride?
[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride has a molecular weight of 431.00 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 161175679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).