1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide

C10H18F3NO2S — CID 58689137

IUPAC1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
SMILESCC(C)C1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)8-3-5-9(6-4-8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyPINHQTPOKJBZKQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.64
Rot. Bonds3

About 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide

1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide (PubChem CID 58689137) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
PubChem CID58689137
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
SMILESCC(C)C1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)8-3-5-9(6-4-8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyPINHQTPOKJBZKQ-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
N-(2-cyclohexylcyclopropyl)methanesulfonamide
CID 71997365
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 90137940
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(2,6-diethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 140430226
N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide
CID 143867500

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide (CID 58689137) is 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide is CC(C)C1CCC(NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide?
The InChIKey is PINHQTPOKJBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-7(2)8-3-5-9(6-4-8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide?
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 58689137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).