N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine

C12H23F2NO2S — CID 103516904

IUPACN-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H23F2NO2S/c1-3-7-15-11(12(13)14)9-5-4-6-10(8-9)18(2,16)17/h9-12,15H,3-8H2,1-2H3
InChIKeyBVTRXZUXKWICPQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds6

About N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine

N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine (PubChem CID 103516904) has the molecular formula C12H23F2NO2S and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine
PubChem CID103516904
Molecular FormulaC12H23F2NO2S
Molecular Weight283.38 g/mol
Exact Mass283.14
IUPAC NameN-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H23F2NO2S/c1-3-7-15-11(12(13)14)9-5-4-6-10(8-9)18(2,16)17/h9-12,15H,3-8H2,1-2H3
InChIKeyBVTRXZUXKWICPQ-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine (CID 103516904) is N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine is CCCNC(C(F)F)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is BVTRXZUXKWICPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2S/c1-3-7-15-11(12(13)14)9-5-4-6-10(8-9)18(2,16)17/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 103516904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).