N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide

C9H18F2N2O2S — CID 62007814

IUPACN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-13(16(14,15)8(10)11)9(7-12)5-3-2-4-6-9/h8H,2-7,12H2,1H3
InChIKeyNYPKXSGAKHETSC-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.13
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62007814) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62007814
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-13(16(14,15)8(10)11)9(7-12)5-3-2-4-6-9/h8H,2-7,12H2,1H3
InChIKeyNYPKXSGAKHETSC-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 62007814) is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide is CN(C1(CN)CCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is NYPKXSGAKHETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-13(16(14,15)8(10)11)9(7-12)5-3-2-4-6-9/h8H,2-7,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62007814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).