cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine

C12H17NO3S — CID 99999781

IUPACcis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
SMILESCOC[C@@]1(N)C[C@@H]1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-9-3-5-10(6-4-9)17(14,15)11-7-12(11,13)8-16-2/h3-6,11H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDDMIICYJTBOEHX-RYUDHWBXSA-N
MW255.34 g/mol
LogP0.88
Rot. Bonds4

About cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine

cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine (PubChem CID 99999781) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
PubChem CID99999781
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Namecis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
SMILESCOC[C@@]1(N)C[C@@H]1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-9-3-5-10(6-4-9)17(14,15)11-7-12(11,13)8-16-2/h3-6,11H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDDMIICYJTBOEHX-RYUDHWBXSA-N
XLogP0.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 102569049
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999804
trans-(1R,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999847
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 102568995
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
cis-(1R,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999871
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999874
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
2-(4-bromophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 102569710
(1R,2R,3R)-2-(4-fluorophenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 124857309
trans-(1S,2S)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 99999413

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine (CID 99999781) is cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine is COC[C@@]1(N)C[C@@H]1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine?
The InChIKey is DDMIICYJTBOEHX-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-3-5-10(6-4-9)17(14,15)11-7-12(11,13)8-16-2/h3-6,11H,7-8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine?
cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine has a molecular weight of 255.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine is sourced from PubChem (CID 99999781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).