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

C12H23F3N2O2S — CID 83060012

IUPACN-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-10-20(18,19)17(9-8-16)11-5-2-1-3-6-11/h11H,1-10,16H2
InChIKeyYCISMEASDWNVBI-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds7

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

N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83060012) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83060012
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-10-20(18,19)17(9-8-16)11-5-2-1-3-6-11/h11H,1-10,16H2
InChIKeyYCISMEASDWNVBI-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(dibutylamino)cyclohexyl]azanium;trifluoromethanesulfonate
CID 139194513
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
2-(Cyclohexylamino)ethylsulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
CID 58030989
N-[2-(cyclohexylamino)ethylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 58030990
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691849
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691992
N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide
CID 59302236
N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89003781
N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89004004
N-[2-(cyclohexylamino)ethylsulfonyl]-2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide
CID 89820824
2,2,2-trifluoro-N-(3-piperidyl)ethanesulfonamide
CID 89928251
3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83060012) is N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is NCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YCISMEASDWNVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c13-12(14,15)7-4-10-20(18,19)17(9-8-16)11-5-2-1-3-6-11/h11H,1-10,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.25, 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-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83060012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).