N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide

C12H22F2N2O2S — CID 139439326

IUPACN-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide
SMILESC=CCC(F)(F)CCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H22F2N2O2S/c1-2-7-12(13,14)8-9-19(17,18)16-11-5-3-10(15)4-6-11/h2,10-11,16H,1,3-9,15H2
InChIKeyZBKLXQBGGQEBIH-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.78
Rot. Bonds7

About N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide

N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide (PubChem CID 139439326) has the molecular formula C12H22F2N2O2S and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide
PubChem CID139439326
Molecular FormulaC12H22F2N2O2S
Molecular Weight296.38 g/mol
Exact Mass296.14
IUPAC NameN-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide
SMILESC=CCC(F)(F)CCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H22F2N2O2S/c1-2-7-12(13,14)8-9-19(17,18)16-11-5-3-10(15)4-6-11/h2,10-11,16H,1,3-9,15H2
InChIKeyZBKLXQBGGQEBIH-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide (CID 139439326) is N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide is C=CCC(F)(F)CCS(=O)(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide?
The InChIKey is ZBKLXQBGGQEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2S/c1-2-7-12(13,14)8-9-19(17,18)16-11-5-3-10(15)4-6-11/h2,10-11,16H,1,3-9,15H2.
What are the key properties of N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide?
N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide has a molecular weight of 296.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,3-difluorohex-5-ene-1-sulfonamide is sourced from PubChem (CID 139439326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).