N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide

C8H16N2O2S — CID 15467292

IUPACN-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C(C#N)C(C)C
InChIInChI=1S/C8H16N2O2S/c1-5-13(11,12)10(4)8(6-9)7(2)3/h7-8H,5H2,1-4H3
InChIKeyYFWSAYOHORGPNQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.82
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide

N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide (PubChem CID 15467292) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide
PubChem CID15467292
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C(C#N)C(C)C
InChIInChI=1S/C8H16N2O2S/c1-5-13(11,12)10(4)8(6-9)7(2)3/h7-8H,5H2,1-4H3
InChIKeyYFWSAYOHORGPNQ-UHFFFAOYSA-N
XLogP0.82
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide (CID 15467292) is N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide?
The InChIKey is YFWSAYOHORGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-5-13(11,12)10(4)8(6-9)7(2)3/h7-8H,5H2,1-4H3.
What are the key properties of N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide?
N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide has a molecular weight of 204.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide is sourced from PubChem (CID 15467292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).