[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine

C20H24ClNO3S — CID 124859345

IUPAC[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
SMILESCCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)COC)cc1
InChIInChI=1S/C20H24ClNO3S/c1-3-14-4-6-15(7-5-14)18-19(20(18,12-22)13-25-2)26(23,24)17-10-8-16(21)9-11-17/h4-11,18-19H,3,12-13,22H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyYLKMYGYPNSZTAL-VAMGGRTRSA-N
MW393.94 g/mol
LogP3.43
Rot. Bonds7

About [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine

[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine (PubChem CID 124859345) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
PubChem CID124859345
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
SMILESCCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)COC)cc1
InChIInChI=1S/C20H24ClNO3S/c1-3-14-4-6-15(7-5-14)18-19(20(18,12-22)13-25-2)26(23,24)17-10-8-16(21)9-11-17/h4-11,18-19H,3,12-13,22H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyYLKMYGYPNSZTAL-VAMGGRTRSA-N
XLogP3.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine with MolForge

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Related Compounds

[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124746001
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 124859006
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124747710
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 124748327
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(4-fluorophenyl)cyclopropyl]methanamine
CID 124747844
[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124745476
[(1R,2R,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124745800
1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbonitrile
CID 102570695
[(1S,2R,3S)-2-ethylsulfonyl-3-(4-fluorophenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124744940
[(1S,2R,3R)-2-(4-bromophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropyl]methanamine
CID 124858669
[(1S,2R,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)cyclopropyl]methanol
CID 124745376
tert-butyl N-[(1S,2S,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropyl]carbamate
CID 124745511

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine (CID 124859345) is [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine is CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)COC)cc1.
What is the InChIKey of [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine?
The InChIKey is YLKMYGYPNSZTAL-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-3-14-4-6-15(7-5-14)18-19(20(18,12-22)13-25-2)26(23,24)17-10-8-16(21)9-11-17/h4-11,18-19H,3,12-13,22H2,1-2H3/t18-,19-,20-/m1/s1.
What are the key properties of [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine?
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine has a molecular weight of 393.94 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine is sourced from PubChem (CID 124859345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).