cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide

C15H19FN2O3S — CID 95054873

IUPACcis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O3S/c16-14-7-3-2-6-11(14)12-10-13(12)15(19)17-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,12-13H,1,4-5,8-10H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyIONAOWGXQDDYRR-STQMWFEESA-N
MW326.39 g/mol
LogP1.78
Rot. Bonds4

About cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 95054873) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
PubChem CID95054873
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Namecis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O3S/c16-14-7-3-2-6-11(14)12-10-13(12)15(19)17-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,12-13H,1,4-5,8-10H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyIONAOWGXQDDYRR-STQMWFEESA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 86955889
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CID 97014213
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 56796477
2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 60549670
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 86868904
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 86917440
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71937981

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide (CID 95054873) is cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is IONAOWGXQDDYRR-STQMWFEESA-N. The full InChI is InChI=1S/C15H19FN2O3S/c16-14-7-3-2-6-11(14)12-10-13(12)15(19)17-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,12-13H,1,4-5,8-10H2,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 95054873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).