1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide

C6H13F3N2O2S — CID 62665151

IUPAC1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)10-3-4-11-14(12,13)6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyGAPLXABQSBNBEU-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.42
Rot. Bonds5

About 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (PubChem CID 62665151) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
PubChem CID62665151
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)10-3-4-11-14(12,13)6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyGAPLXABQSBNBEU-UHFFFAOYSA-N
XLogP0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (CID 62665151) is 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide is CC(C)NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The InChIKey is GAPLXABQSBNBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-5(2)10-3-4-11-14(12,13)6(7,8)9/h5,10-11H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62665151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).