N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C10H19F3N2O2S — CID 55010129

IUPACN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O2S/c1-8(2)14-5-6-18(16,17)15(9-3-4-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyCNAZLFGVPHXJAV-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.34
Rot. Bonds7

About N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55010129) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55010129
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.33 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O2S/c1-8(2)14-5-6-18(16,17)15(9-3-4-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyCNAZLFGVPHXJAV-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55010129) is N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CC(C)NCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is CNAZLFGVPHXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8(2)14-5-6-18(16,17)15(9-3-4-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).