N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide

C10H19F2NO2S — CID 158466986

IUPACN-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide
SMILESCCC1CCCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C10H19F2NO2S/c1-3-8-5-4-6-9(10(8,11)12)7-13-16(2,14)15/h8-9,13H,3-7H2,1-2H3
InChIKeyDIBZCYSQURQCMD-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.00
Rot. Bonds4

About N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide

N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide (PubChem CID 158466986) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide
PubChem CID158466986
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC NameN-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide
SMILESCCC1CCCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C10H19F2NO2S/c1-3-8-5-4-6-9(10(8,11)12)7-13-16(2,14)15/h8-9,13H,3-7H2,1-2H3
InChIKeyDIBZCYSQURQCMD-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide (CID 158466986) is N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide is CCC1CCCC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide?
The InChIKey is DIBZCYSQURQCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c1-3-8-5-4-6-9(10(8,11)12)7-13-16(2,14)15/h8-9,13H,3-7H2,1-2H3.
What are the key properties of N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide?
N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide has a molecular weight of 255.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 158466986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).