N-(1-cyanocyclopropyl)methanesulfonamide;ethane

C7H14N2O2S — CID 167494038

IUPACN-(1-cyanocyclopropyl)methanesulfonamide;ethane
SMILESCC.CS(=O)(=O)NC1(C#N)CC1
InChIInChI=1S/C5H8N2O2S.C2H6/c1-10(8,9)7-5(4-6)2-3-5;1-2/h7H,2-3H2,1H3;1-2H3
InChIKeyFOELHEVVSXRESA-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.62
Rot. Bonds2

About N-(1-cyanocyclopropyl)methanesulfonamide;ethane

N-(1-cyanocyclopropyl)methanesulfonamide;ethane (PubChem CID 167494038) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)methanesulfonamide;ethane.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)methanesulfonamide;ethane
PubChem CID167494038
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(1-cyanocyclopropyl)methanesulfonamide;ethane
SMILESCC.CS(=O)(=O)NC1(C#N)CC1
InChIInChI=1S/C5H8N2O2S.C2H6/c1-10(8,9)7-5(4-6)2-3-5;1-2/h7H,2-3H2,1H3;1-2H3
InChIKeyFOELHEVVSXRESA-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)methanesulfonamide;ethane?
The IUPAC name of N-(1-cyanocyclopropyl)methanesulfonamide;ethane (CID 167494038) is N-(1-cyanocyclopropyl)methanesulfonamide;ethane.
What is the SMILES notation for N-(1-cyanocyclopropyl)methanesulfonamide;ethane?
The canonical SMILES for N-(1-cyanocyclopropyl)methanesulfonamide;ethane is CC.CS(=O)(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)methanesulfonamide;ethane?
The InChIKey is FOELHEVVSXRESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S.C2H6/c1-10(8,9)7-5(4-6)2-3-5;1-2/h7H,2-3H2,1H3;1-2H3.
What are the key properties of N-(1-cyanocyclopropyl)methanesulfonamide;ethane?
N-(1-cyanocyclopropyl)methanesulfonamide;ethane has a molecular weight of 190.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)methanesulfonamide;ethane is sourced from PubChem (CID 167494038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).