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

C10H21F3N2O2S — CID 55009795

IUPACN-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C10H21F3N2O2S/c1-4-15(8-10(11,12)13)18(16,17)7-5-6-14-9(2)3/h9,14H,4-8H2,1-3H3
InChIKeyRKHXQSKVDKPUAY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.59
Rot. Bonds8

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

N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 55009795) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID55009795
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C10H21F3N2O2S/c1-4-15(8-10(11,12)13)18(16,17)7-5-6-14-9(2)3/h9,14H,4-8H2,1-3H3
InChIKeyRKHXQSKVDKPUAY-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.59
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 N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 55009795) is N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is RKHXQSKVDKPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-4-15(8-10(11,12)13)18(16,17)7-5-6-14-9(2)3/h9,14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 55009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).