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

C8H15F2NO3S — CID 115867596

IUPAC1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO3S/c1-11(15(13,14)7(9)10)6-8(12)4-2-3-5-8/h7,12H,2-6H2,1H3
InChIKeyCJXMKBIJVYIJAO-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.78
Rot. Bonds4

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

1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (PubChem CID 115867596) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
PubChem CID115867596
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO3S/c1-11(15(13,14)7(9)10)6-8(12)4-2-3-5-8/h7,12H,2-6H2,1H3
InChIKeyCJXMKBIJVYIJAO-UHFFFAOYSA-N
XLogP0.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.78
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
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 114951758
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 115967751
1-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 104099496
N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 109895651
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 109895655
N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 109895690
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropane-2-sulfonamide
CID 114951774
1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 114951930
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (CID 115867596) is 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is CJXMKBIJVYIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c1-11(15(13,14)7(9)10)6-8(12)4-2-3-5-8/h7,12H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 243.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 115867596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).