N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide

C9H17F3N2O2S — CID 43598303

IUPACN-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-8(13)5-3-1-2-4-6-8/h14H,1-7,13H2
InChIKeyTUPFVKWWRPMLJL-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.48
Rot. Bonds3

About N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 43598303) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID43598303
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-8(13)5-3-1-2-4-6-8/h14H,1-7,13H2
InChIKeyTUPFVKWWRPMLJL-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)cycloheptyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888273
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
CID 143893293
N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 163658616
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
1-(Difluoromethylsulfonylamino)cycloheptane-1-carbothioamide
CID 61125071
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 43598303) is N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide is NC1(CNS(=O)(=O)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is TUPFVKWWRPMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-8(13)5-3-1-2-4-6-8/h14H,1-7,13H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43598303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).