N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide

C7H14F3NO2S — CID 176871769

IUPACN-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-5(2)11(14(4,12)13)6(3)7(8,9)10/h5-6H,1-4H3
InChIKeyDOBICSBJKABSIX-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds3

About N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide

N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide (PubChem CID 176871769) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide
PubChem CID176871769
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-5(2)11(14(4,12)13)6(3)7(8,9)10/h5-6H,1-4H3
InChIKeyDOBICSBJKABSIX-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide?
The IUPAC name of N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide (CID 176871769) is N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide?
The canonical SMILES for N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide is CC(C)N(C(C)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide?
The InChIKey is DOBICSBJKABSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-5(2)11(14(4,12)13)6(3)7(8,9)10/h5-6H,1-4H3.
What are the key properties of N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide?
N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)methanesulfonamide is sourced from PubChem (CID 176871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).