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

C7H12F3NO3S — CID 65113106

IUPAC1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-5-6(12)3-1-2-4-6/h11-12H,1-5H2
InChIKeyUZHKOGNIYPCGQC-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.73
Rot. Bonds3

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

1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (PubChem CID 65113106) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
PubChem CID65113106
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-5-6(12)3-1-2-4-6/h11-12H,1-5H2
InChIKeyUZHKOGNIYPCGQC-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
CID 167898151
1-[(cyclopropylsulfamoylamino)methyl]cyclopentan-1-ol
CID 114383287
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
CID 167976353
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
CID 82722622
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 65105759
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (CID 65113106) is 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide is O=S(=O)(NCC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The InChIKey is UZHKOGNIYPCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-5-6(12)3-1-2-4-6/h11-12H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide has a molecular weight of 247.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 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]methanesulfonamide is sourced from PubChem (CID 65113106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).