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

C11H18F3NO4S — CID 126800077

IUPAC1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(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)
InChIKeyMWGNQAMYMGLPSN-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.77
Rot. Bonds4

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

1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 126800077) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID126800077
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(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)
InChIKeyMWGNQAMYMGLPSN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide (CID 126800077) is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide is CC(O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is MWGNQAMYMGLPSN-UHFFFAOYSA-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).
What are the key properties of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide?
1-methylsulfonyl-N-(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-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 126800077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).