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

C11H15NO2S — CID 99999683

IUPAC[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1ccc(S(=O)(=O)[C@H]2C[C@@H]2CN)cc1
InChIInChI=1S/C11H15NO2S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11+/m1/s1
InChIKeyHIAPVZWFYRGYFA-KOLCDFICSA-N
MW225.31 g/mol
LogP1.12
Rot. Bonds3

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

[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine (PubChem CID 99999683) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
PubChem CID99999683
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1ccc(S(=O)(=O)[C@H]2C[C@@H]2CN)cc1
InChIInChI=1S/C11H15NO2S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11+/m1/s1
InChIKeyHIAPVZWFYRGYFA-KOLCDFICSA-N
XLogP1.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
cis-(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999892
(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
CID 12556444
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
2-fluorocyclopropan-1-amine;4-methylbenzenesulfonate
CID 22936757
4-ethyl-2-(4-methylphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64689734
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine (CID 99999683) is [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine is Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]2CN)cc1.
What is the InChIKey of [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
The InChIKey is HIAPVZWFYRGYFA-KOLCDFICSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11+/m1/s1.
What are the key properties of [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine?
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine has a molecular weight of 225.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 99999683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).