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

C11H21F3N2O2S — CID 55009456

IUPACN-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(2)15-6-3-7-19(17,18)16(10-4-5-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyAVSYKYUEDIAYBF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds8

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

N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 55009456) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID55009456
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(2)15-6-3-7-19(17,18)16(10-4-5-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyAVSYKYUEDIAYBF-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
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-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 55009456) is N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is AVSYKYUEDIAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-9(2)15-6-3-7-19(17,18)16(10-4-5-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 55009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).