1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide

C8H14F3NO3S — CID 114951758

IUPAC1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-12(16(14,15)8(9,10)11)6-7(13)4-2-3-5-7/h13H,2-6H2,1H3
InChIKeyYISBNNPAIPTIPN-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.07
Rot. Bonds3

About 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide

1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (PubChem CID 114951758) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
PubChem CID114951758
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-12(16(14,15)8(9,10)11)6-7(13)4-2-3-5-7/h13H,2-6H2,1H3
InChIKeyYISBNNPAIPTIPN-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 75435990
1-Hydroxy-1-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclopentane
CID 113654851
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 115867596
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 115967751
N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 109895690
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropane-2-sulfonamide
CID 114951774

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (CID 114951758) is 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is YISBNNPAIPTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-12(16(14,15)8(9,10)11)6-7(13)4-2-3-5-7/h13H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 261.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 114951758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).