1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide

C11H18F3NO4S — CID 129345485

IUPAC1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide
SMILESC[C@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-9(17,11(12,13)14)7-15-8(16)10(20(2,18)19)5-3-4-6-10/h17H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyMWGNQAMYMGLPSN-VIFPVBQESA-N
MW317.33 g/mol
LogP0.77
Rot. Bonds4

About 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide

1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide (PubChem CID 129345485) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide
PubChem CID129345485
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide
SMILESC[C@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-9(17,11(12,13)14)7-15-8(16)10(20(2,18)19)5-3-4-6-10/h17H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyMWGNQAMYMGLPSN-VIFPVBQESA-N
XLogP0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 126800077
N-methyl-1-methylsulfonylcyclopentane-1-carboxamide
CID 130605374
(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid
CID 119238407
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
(2R,3S)-2-prop-1-en-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxane-3-carboxamide
CID 126814783
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 138998662
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551943

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide (CID 129345485) is 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide is C[C@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide?
The InChIKey is MWGNQAMYMGLPSN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-9(17,11(12,13)14)7-15-8(16)10(20(2,18)19)5-3-4-6-10/h17H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide?
1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 129345485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).