N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C10H18F3NO2S — CID 64585947

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14(6-10(11,12)13)8(3)9-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyMQPGFQXKHOWTFE-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.39
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 64585947) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID64585947
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14(6-10(11,12)13)8(3)9-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyMQPGFQXKHOWTFE-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 64585947) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is MQPGFQXKHOWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14(6-10(11,12)13)8(3)9-4-5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 64585947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).