N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide

C12H24F2N2O2S — CID 62010224

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C12H24F2N2O2S/c1-3-8-16(19(17,18)11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3
InChIKeyYCOWXTZTLVOUAG-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62010224) has the molecular formula C12H24F2N2O2S and a molecular weight of 298.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62010224
Molecular FormulaC12H24F2N2O2S
Molecular Weight298.40 g/mol
Exact Mass298.15
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C12H24F2N2O2S/c1-3-8-16(19(17,18)11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3
InChIKeyYCOWXTZTLVOUAG-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (CID 62010224) is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is YCOWXTZTLVOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2S/c1-3-8-16(19(17,18)11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 298.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 62010224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).