N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide

C11H22F2N2O2S — CID 62010024

IUPACN-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c1-2-15(18(16,17)10(12)13)11(9-14)7-5-3-4-6-8-11/h10H,2-9,14H2,1H3
InChIKeyJXSMOQVQSZAVGI-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 62010024) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID62010024
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c1-2-15(18(16,17)10(12)13)11(9-14)7-5-3-4-6-8-11/h10H,2-9,14H2,1H3
InChIKeyJXSMOQVQSZAVGI-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide (CID 62010024) is N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide is CCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is JXSMOQVQSZAVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c1-2-15(18(16,17)10(12)13)11(9-14)7-5-3-4-6-8-11/h10H,2-9,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62010024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).