N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide

C11H22F2N2O2S — CID 43137028

IUPACN-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c12-11(13)18(16,17)15(9-5-8-14)10-6-3-1-2-4-7-10/h10-11H,1-9,14H2
InChIKeySEOFSCWWYFDDIA-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.91
Rot. Bonds6

About N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide (PubChem CID 43137028) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide
PubChem CID43137028
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c12-11(13)18(16,17)15(9-5-8-14)10-6-3-1-2-4-7-10/h10-11H,1-9,14H2
InChIKeySEOFSCWWYFDDIA-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide (CID 43137028) is N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide is NCCCN(C1CCCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide?
The InChIKey is SEOFSCWWYFDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c12-11(13)18(16,17)15(9-5-8-14)10-6-3-1-2-4-7-10/h10-11H,1-9,14H2.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43137028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).