4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide

C11H20F3NO3S — CID 115967751

IUPAC4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-15(9-10(16)5-2-3-6-10)19(17,18)8-4-7-11(12,13)14/h16H,2-9H2,1H3
InChIKeyHQHRVBPASZBPQN-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.90
Rot. Bonds6

About 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide

4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide (PubChem CID 115967751) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
PubChem CID115967751
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO3S/c1-15(9-10(16)5-2-3-6-10)19(17,18)8-4-7-11(12,13)14/h16H,2-9H2,1H3
InChIKeyHQHRVBPASZBPQN-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.90
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
3-Propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
CID 83058647
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]butane-1-sulfonamide
CID 83059846
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 114951758
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 115867596
1-[(2,2-Difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol
CID 128577995
3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 166308359
1-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-ol
CID 104549885
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 107652588
1-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 109895650
N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 109895651
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 109895655

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide (CID 115967751) is 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is HQHRVBPASZBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-15(9-10(16)5-2-3-6-10)19(17,18)8-4-7-11(12,13)14/h16H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 115967751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).