4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

C9H19F3N2O2S — CID 55010472

IUPAC4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCCN
InChIInChI=1S/C9H19F3N2O2S/c1-2-6-14(8-9(10,11)12)17(15,16)7-4-3-5-13/h2-8,13H2,1H3
InChIKeyZMQMNNUNTANXGW-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.33
Rot. Bonds8

About 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (PubChem CID 55010472) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
PubChem CID55010472
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCCN
InChIInChI=1S/C9H19F3N2O2S/c1-2-6-14(8-9(10,11)12)17(15,16)7-4-3-5-13/h2-8,13H2,1H3
InChIKeyZMQMNNUNTANXGW-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (CID 55010472) is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The InChIKey is ZMQMNNUNTANXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-2-6-14(8-9(10,11)12)17(15,16)7-4-3-5-13/h2-8,13H2,1H3.
What are the key properties of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 55010472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).