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

C11H22F2N2O2S — CID 62009005

IUPACN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c1-2-8-15(18(16,17)10(12)13)11(9-14)6-4-3-5-7-11/h10H,2-9,14H2,1H3
InChIKeyVTDYSZBLKPGGPY-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.91
Rot. Bonds6

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

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62009005) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62009005
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H22F2N2O2S/c1-2-8-15(18(16,17)10(12)13)11(9-14)6-4-3-5-7-11/h10H,2-9,14H2,1H3
InChIKeyVTDYSZBLKPGGPY-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (CID 62009005) is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1(CN)CCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is VTDYSZBLKPGGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c1-2-8-15(18(16,17)10(12)13)11(9-14)6-4-3-5-7-11/h10H,2-9,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.91, 6 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-propylmethanesulfonamide is sourced from PubChem (CID 62009005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).