N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C12H23F3N2O2S — CID 83058528

IUPACN-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-2-17(11-6-4-10(16)5-7-11)20(18,19)9-3-8-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyGQOGCTVUZULHFP-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds6

About N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058528) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058528
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-2-17(11-6-4-10(16)5-7-11)20(18,19)9-3-8-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyGQOGCTVUZULHFP-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83058528) is N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GQOGCTVUZULHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-2-17(11-6-4-10(16)5-7-11)20(18,19)9-3-8-12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).