N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C7H11F3N2O2S — CID 166024445

IUPACN-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c1-5(2)6(4-11)12(3)15(13,14)7(8,9)10/h5-6H,1-3H3
InChIKeyZJACQNUAWCRRMM-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.32
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 166024445) has the molecular formula C7H11F3N2O2S and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID166024445
Molecular FormulaC7H11F3N2O2S
Molecular Weight244.24 g/mol
Exact Mass244.05
IUPAC NameN-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c1-5(2)6(4-11)12(3)15(13,14)7(8,9)10/h5-6H,1-3H3
InChIKeyZJACQNUAWCRRMM-UHFFFAOYSA-N
XLogP1.32
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.32
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)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 166024445) is N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CC(C)C(C#N)N(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is ZJACQNUAWCRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S/c1-5(2)6(4-11)12(3)15(13,14)7(8,9)10/h5-6H,1-3H3.
What are the key properties of N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 244.24 g/mol, XLogP of 1.32, 3 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)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 166024445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).