3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C11H23F3N2O2S — CID 55009648

IUPAC3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-4-7-16(9-11(12,13)14)19(17,18)8-5-6-15-10(2)3/h10,15H,4-9H2,1-3H3
InChIKeyUQEWLYGTVFDCRQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.98
Rot. Bonds9

About 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 55009648) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID55009648
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC Name3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-4-7-16(9-11(12,13)14)19(17,18)8-5-6-15-10(2)3/h10,15H,4-9H2,1-3H3
InChIKeyUQEWLYGTVFDCRQ-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.98
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 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 55009648) is 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is UQEWLYGTVFDCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-4-7-16(9-11(12,13)14)19(17,18)8-5-6-15-10(2)3/h10,15H,4-9H2,1-3H3.
What are the key properties of 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 55009648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).