N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide

C15H23NO3S — CID 70818358

IUPACN-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1C[C@@H]1COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-20(17,18)16-15-9-13(15)10-19-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyBQJSAPZPYNNZDP-UKRRQHHQSA-N
MW297.42 g/mol
LogP2.52
Rot. Bonds7

About N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide

N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide (PubChem CID 70818358) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide
PubChem CID70818358
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1C[C@@H]1COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-20(17,18)16-15-9-13(15)10-19-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyBQJSAPZPYNNZDP-UKRRQHHQSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide?
The IUPAC name of N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide (CID 70818358) is N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1C[C@@H]1COc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide?
The InChIKey is BQJSAPZPYNNZDP-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-20(17,18)16-15-9-13(15)10-19-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide?
N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(4-propan-2-ylphenoxy)methyl]cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 70818358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).