N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

C13H25F3N2O2S — CID 83047656

IUPACN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c1-2-9-18(12-6-4-11(17)5-7-12)21(19,20)10-3-8-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyQGCWIINBIGAFCK-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.64
Rot. Bonds7

About N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 83047656) has the molecular formula C13H25F3N2O2S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID83047656
Molecular FormulaC13H25F3N2O2S
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC NameN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c1-2-9-18(12-6-4-11(17)5-7-12)21(19,20)10-3-8-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyQGCWIINBIGAFCK-UHFFFAOYSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 83047656) is N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is QGCWIINBIGAFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2S/c1-2-9-18(12-6-4-11(17)5-7-12)21(19,20)10-3-8-13(14,15)16/h11-12H,2-10,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 330.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 83047656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).