[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide

C14H18N2O3S — CID 65003047

IUPAC[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESN#Cc1ccc(OCC2(CS(N)(=O)=O)CCCC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-9-12-3-5-13(6-4-12)19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-8,10-11H2,(H2,16,17,18)
InChIKeyXIVNBVTZUXEPKS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.79
Rot. Bonds5

About [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65003047) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65003047
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESN#Cc1ccc(OCC2(CS(N)(=O)=O)CCCC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-9-12-3-5-13(6-4-12)19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-8,10-11H2,(H2,16,17,18)
InChIKeyXIVNBVTZUXEPKS-UHFFFAOYSA-N
XLogP1.79
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(4-nitrophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002898
[1-[(2-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002803
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65003047) is [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide is N#Cc1ccc(OCC2(CS(N)(=O)=O)CCCC2)cc1.
What is the InChIKey of [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is XIVNBVTZUXEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-9-12-3-5-13(6-4-12)19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-8,10-11H2,(H2,16,17,18).
What are the key properties of [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65003047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).