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

C13H26F2N2O2S — CID 62010626

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCC(CC)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C13H26F2N2O2S/c1-3-9-17(20(18,19)12(14)15)13(10-16)7-5-11(4-2)6-8-13/h11-12H,3-10,16H2,1-2H3
InChIKeyFILNDDZVILDDGY-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.55
Rot. Bonds7

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62010626) has the molecular formula C13H26F2N2O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62010626
Molecular FormulaC13H26F2N2O2S
Molecular Weight312.43 g/mol
Exact Mass312.17
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCC(CC)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C13H26F2N2O2S/c1-3-9-17(20(18,19)12(14)15)13(10-16)7-5-11(4-2)6-8-13/h11-12H,3-10,16H2,1-2H3
InChIKeyFILNDDZVILDDGY-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.55
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-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide (CID 62010626) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1(CN)CCC(CC)CC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is FILNDDZVILDDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2S/c1-3-9-17(20(18,19)12(14)15)13(10-16)7-5-11(4-2)6-8-13/h11-12H,3-10,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 62010626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).