N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide

C12H24F2N2O2S — CID 62007833

IUPACN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C12H24F2N2O2S/c1-2-9-16(19(17,18)11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3
InChIKeyPSYKGUPWJKKPIQ-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.30
Rot. Bonds6

About N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62007833) has the molecular formula C12H24F2N2O2S and a molecular weight of 298.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62007833
Molecular FormulaC12H24F2N2O2S
Molecular Weight298.40 g/mol
Exact Mass298.15
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C12H24F2N2O2S/c1-2-9-16(19(17,18)11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3
InChIKeyPSYKGUPWJKKPIQ-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63688957
N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
CID 62007631
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-propylethanesulfonamide
CID 63245720
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 63289931
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
N-[1-(aminomethyl)cyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360481
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methylpropane-2-sulfonamide
CID 63689699
N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide
CID 62064009

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide (CID 62007833) is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is PSYKGUPWJKKPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2S/c1-2-9-16(19(17,18)11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 298.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 62007833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).