N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide

C8H16N2O3S — CID 62647597

IUPACN-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)CCOC
InChIInChI=1S/C8H16N2O3S/c1-3-8(4-5-9)10-14(11,12)7-6-13-2/h8,10H,3-4,6-7H2,1-2H3
InChIKeyHJWOIRLFPMASDF-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.24
Rot. Bonds7

About N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide

N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide (PubChem CID 62647597) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide
PubChem CID62647597
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)CCOC
InChIInChI=1S/C8H16N2O3S/c1-3-8(4-5-9)10-14(11,12)7-6-13-2/h8,10H,3-4,6-7H2,1-2H3
InChIKeyHJWOIRLFPMASDF-UHFFFAOYSA-N
XLogP0.24
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide (CID 62647597) is N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide is CCC(CC#N)NS(=O)(=O)CCOC.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide?
The InChIKey is HJWOIRLFPMASDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-8(4-5-9)10-14(11,12)7-6-13-2/h8,10H,3-4,6-7H2,1-2H3.
What are the key properties of N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide?
N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 62647597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).