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

C19H22ClNO3S — CID 124745476

IUPAC[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO3S/c1-13-6-8-16(9-7-13)25(22,23)18-17(19(18,11-21)12-24-2)14-4-3-5-15(20)10-14/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1
InChIKeyGJCRAEQRDWZTAZ-IPMKNSEASA-N
MW379.91 g/mol
LogP3.18
Rot. Bonds6

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

[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine (PubChem CID 124745476) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
PubChem CID124745476
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO3S/c1-13-6-8-16(9-7-13)25(22,23)18-17(19(18,11-21)12-24-2)14-4-3-5-15(20)10-14/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1
InChIKeyGJCRAEQRDWZTAZ-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-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine with MolForge

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Related Compounds

[1-(aminomethyl)-2-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 102570178
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 124859006
[2-(3-chlorophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropyl]methanamine
CID 102570390
2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570395
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124747710
2-(3-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 102570867
[1-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropyl]methanamine
CID 102569176
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124859345
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 124748327
[2-(3-chlorophenyl)-1-(ethoxymethyl)-3-ethylsulfonylcyclopropyl]methanamine
CID 102570451
[(1R,2R,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124745800
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124746001

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine (CID 124745476) is [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine is COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The InChIKey is GJCRAEQRDWZTAZ-IPMKNSEASA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-13-6-8-16(9-7-13)25(22,23)18-17(19(18,11-21)12-24-2)14-4-3-5-15(20)10-14/h3-10,17-18H,11-12,21H2,1-2H3/t17-,18+,19+/m0/s1.
What are the key properties of [(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
[(1R,2R,3R)-2-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]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-(3-chlorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 124745476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).