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

C19H22ClNO3S — CID 124859006

IUPAC[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
SMILESCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO3S/c1-13-3-5-14(6-4-13)17-18(19(17,11-21)12-24-2)25(22,23)16-9-7-15(20)8-10-16/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1
InChIKeyTYUHYATYANXYKY-IPMKNSEASA-N
MW379.91 g/mol
LogP3.18
Rot. Bonds6

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

[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine (PubChem CID 124859006) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
PubChem CID124859006
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
SMILESCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO3S/c1-13-3-5-14(6-4-13)17-18(19(17,11-21)12-24-2)25(22,23)16-9-7-15(20)8-10-16/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1
InChIKeyTYUHYATYANXYKY-IPMKNSEASA-N
XLogP3.18
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(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-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124859345
[(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
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(4-fluorophenyl)cyclopropyl]methanamine
CID 124747844
[(1R,2R,3R)-1-(ethoxymethyl)-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124745789
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124746001
[2-(benzenesulfonyl)-1-(ethoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 102570383
2-(4-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 102570186
[1-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropyl]methanamine
CID 102569176
[1-(aminomethyl)-2-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 102570178

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine (CID 124859006) is [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine is COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine?
The InChIKey is TYUHYATYANXYKY-IPMKNSEASA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-13-3-5-14(6-4-13)17-18(19(17,11-21)12-24-2)25(22,23)16-9-7-15(20)8-10-16/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1.
What are the key properties of [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine?
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine has a molecular weight of 379.91 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 124859006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).