N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

C11H21F3N2O2S — CID 83067792

IUPACN-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-9-19(17,18)16(8-7-15)10-4-1-2-5-10/h10H,1-9,15H2
InChIKeyBKURFXSKOGXBFV-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.86
Rot. Bonds7

About N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067792) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067792
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-9-19(17,18)16(8-7-15)10-4-1-2-5-10/h10H,1-9,15H2
InChIKeyBKURFXSKOGXBFV-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83067792) is N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is NCCN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is BKURFXSKOGXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-9-19(17,18)16(8-7-15)10-4-1-2-5-10/h10H,1-9,15H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).