N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide

C8H14N2O2S — CID 82126066

IUPACN-(1-cyanocyclopentyl)-N-methylmethanesulfonamide
SMILESCN(C1(C#N)CCCC1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-10(13(2,11)12)8(7-9)5-3-4-6-8/h3-6H2,1-2H3
InChIKeyBIGAEYAATUUPKQ-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.71
Rot. Bonds2

About N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide

N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide (PubChem CID 82126066) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-N-methylmethanesulfonamide
PubChem CID82126066
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(1-cyanocyclopentyl)-N-methylmethanesulfonamide
SMILESCN(C1(C#N)CCCC1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-10(13(2,11)12)8(7-9)5-3-4-6-8/h3-6H2,1-2H3
InChIKeyBIGAEYAATUUPKQ-UHFFFAOYSA-N
XLogP0.71
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide
CID 82127083
N-(1-cyanocyclopentyl)-N-methylethanesulfonamide
CID 82127082
N-(1-cyanocyclopentyl)-N-methylpropane-1-sulfonamide
CID 82128566
1-[Dimethylsulfamoyl(methyl)amino]cyclopentane-1-carbonitrile
CID 82128696
N-(1-cyanocyclopentyl)-N-methylbutane-1-sulfonamide
CID 94688500

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide (CID 82126066) is N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide is CN(C1(C#N)CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide?
The InChIKey is BIGAEYAATUUPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10(13(2,11)12)8(7-9)5-3-4-6-8/h3-6H2,1-2H3.
What are the key properties of N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide?
N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 82126066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).