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

C11H20F3N3O2S — CID 61252518

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c1-9(10-2-3-10)17(8-11(12,13)14)20(18,19)16-6-4-15-5-7-16/h9-10,15H,2-8H2,1H3
InChIKeyVNDLZDNJJKBTGU-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.80
Rot. Bonds5

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

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61252518) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61252518
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c1-9(10-2-3-10)17(8-11(12,13)14)20(18,19)16-6-4-15-5-7-16/h9-10,15H,2-8H2,1H3
InChIKeyVNDLZDNJJKBTGU-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61252518) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is VNDLZDNJJKBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c1-9(10-2-3-10)17(8-11(12,13)14)20(18,19)16-6-4-15-5-7-16/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).