2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide

C9H14FNOS — CID 134338964

IUPAC2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide
SMILESCC(C)(S)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C9H14FNOS/c1-9(2,13)11-8(12)6-4-3-5-7(6)10/h13H,3-5H2,1-2H3,(H,11,12)
InChIKeyNBDUFJIFJHPKAV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.18
Rot. Bonds2

About 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide

2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide (PubChem CID 134338964) has the molecular formula C9H14FNOS and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide
PubChem CID134338964
Molecular FormulaC9H14FNOS
Molecular Weight203.28 g/mol
Exact Mass203.08
IUPAC Name2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide
SMILESCC(C)(S)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C9H14FNOS/c1-9(2,13)11-8(12)6-4-3-5-7(6)10/h13H,3-5H2,1-2H3,(H,11,12)
InChIKeyNBDUFJIFJHPKAV-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide (CID 134338964) is 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide is CC(C)(S)NC(=O)C1=C(F)CCC1.
What is the InChIKey of 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide?
The InChIKey is NBDUFJIFJHPKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNOS/c1-9(2,13)11-8(12)6-4-3-5-7(6)10/h13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide?
2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide has a molecular weight of 203.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide is sourced from PubChem (CID 134338964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).