[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine

C18H21NO2S — CID 124858189

IUPAC[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-12-3-7-14(8-4-12)17-16(11-19)18(17)22(20,21)15-9-5-13(2)6-10-15/h3-10,16-18H,11,19H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyMGLAGQSVAHHARW-KZNAEPCWSA-N
MW315.44 g/mol
LogP2.82
Rot. Bonds4

About [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine

[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine (PubChem CID 124858189) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
PubChem CID124858189
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-12-3-7-14(8-4-12)17-16(11-19)18(17)22(20,21)15-9-5-13(2)6-10-15/h3-10,16-18H,11,19H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyMGLAGQSVAHHARW-KZNAEPCWSA-N
XLogP2.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbothioamide
CID 124858872
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 124858670
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine (CID 124858189) is [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine is Cc1ccc([C@@H]2[C@@H](CN)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The InChIKey is MGLAGQSVAHHARW-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-3-7-14(8-4-12)17-16(11-19)18(17)22(20,21)15-9-5-13(2)6-10-15/h3-10,16-18H,11,19H2,1-2H3/t16-,17-,18-/m1/s1.
What are the key properties of [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine has a molecular weight of 315.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 124858189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).