N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide

C12H23F3N2O2S — CID 83067865

IUPACN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-9,16H2
InChIKeyXWNIEVVNBSKQQQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.16
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067865) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067865
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-9,16H2
InChIKeyXWNIEVVNBSKQQQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83067865) is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide is NCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XWNIEVVNBSKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-9,16H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).