1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine

C14H22N2O2S — CID 102570743

IUPAC1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCc1ccc(C2C(S(=O)(=O)CC)C2(N)CN)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-10-5-7-11(8-6-10)12-13(14(12,16)9-15)19(17,18)4-2/h5-8,12-13H,3-4,9,15-16H2,1-2H3
InChIKeyHBZQZJJTIIEXSH-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.81
Rot. Bonds5

About 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine

1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine (PubChem CID 102570743) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
PubChem CID102570743
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCc1ccc(C2C(S(=O)(=O)CC)C2(N)CN)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-10-5-7-11(8-6-10)12-13(14(12,16)9-15)19(17,18)4-2/h5-8,12-13H,3-4,9,15-16H2,1-2H3
InChIKeyHBZQZJJTIIEXSH-UHFFFAOYSA-N
XLogP0.81
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3S)-1-(aminomethyl)-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 124858485
[(1R,2S,3S)-1-amino-2-(4-ethylphenyl)-3-methylsulfonylcyclopropyl]methanol
CID 124748170
(1R,2S,3S)-1-(aminomethyl)-2-(4-methylphenyl)-3-methylsulfonylcyclopropan-1-amine
CID 124858065
(1S,2R,3R)-2-(4-chlorophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 124857943
(1R,2R,3R)-2-(benzenesulfonyl)-1-(ethoxymethyl)-3-(4-ethylphenyl)cyclopropan-1-amine
CID 124857817
(1R,2R,3R)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745971
[(1S,2S,3R)-1-(aminomethyl)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropyl]methanol
CID 124748839
2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 102570488
[1-(aminomethyl)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 102569104
(1R,2R,3S)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 124748793
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124746001
(1R,2S,3S)-1-(aminomethyl)-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 124747053

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine (CID 102570743) is 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine is CCc1ccc(C2C(S(=O)(=O)CC)C2(N)CN)cc1.
What is the InChIKey of 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The InChIKey is HBZQZJJTIIEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-10-5-7-11(8-6-10)12-13(14(12,16)9-15)19(17,18)4-2/h5-8,12-13H,3-4,9,15-16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine is sourced from PubChem (CID 102570743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).