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

C9H18F2N2O2S — CID 28940670

IUPACN-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-7,12H2
InChIKeyJVLTVCJYBKKWMT-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.18
Rot. Bonds4

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

N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940670) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
PubChem CID28940670
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-7,12H2
InChIKeyJVLTVCJYBKKWMT-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.18
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-(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)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
1-(Difluoromethylsulfonylamino)cycloheptane-1-carbothioamide
CID 61125071
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide (CID 28940670) is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)F)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide?
The InChIKey is JVLTVCJYBKKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-9(7-12)5-3-1-2-4-6-9/h8,13H,1-7,12H2.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).