cyclopropyl-(4-ethylsulfonylphenyl)methanamine

C12H17NO2S — CID 71015786

IUPACcyclopropyl-(4-ethylsulfonylphenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)11-7-5-10(6-8-11)12(13)9-3-4-9/h5-9,12H,2-4,13H2,1H3
InChIKeyXHTMUSILQYHHLN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.89
Rot. Bonds4

About cyclopropyl-(4-ethylsulfonylphenyl)methanamine

cyclopropyl-(4-ethylsulfonylphenyl)methanamine (PubChem CID 71015786) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is cyclopropyl-(4-ethylsulfonylphenyl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(4-ethylsulfonylphenyl)methanamine
PubChem CID71015786
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namecyclopropyl-(4-ethylsulfonylphenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)11-7-5-10(6-8-11)12(13)9-3-4-9/h5-9,12H,2-4,13H2,1H3
InChIKeyXHTMUSILQYHHLN-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 116937380
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
CID 116868654
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-ethylsulfonylphenyl)methanamine?
The IUPAC name of cyclopropyl-(4-ethylsulfonylphenyl)methanamine (CID 71015786) is cyclopropyl-(4-ethylsulfonylphenyl)methanamine.
What is the SMILES notation for cyclopropyl-(4-ethylsulfonylphenyl)methanamine?
The canonical SMILES for cyclopropyl-(4-ethylsulfonylphenyl)methanamine is CCS(=O)(=O)c1ccc(C(N)C2CC2)cc1.
What is the InChIKey of cyclopropyl-(4-ethylsulfonylphenyl)methanamine?
The InChIKey is XHTMUSILQYHHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-16(14,15)11-7-5-10(6-8-11)12(13)9-3-4-9/h5-9,12H,2-4,13H2,1H3.
What are the key properties of cyclopropyl-(4-ethylsulfonylphenyl)methanamine?
cyclopropyl-(4-ethylsulfonylphenyl)methanamine has a molecular weight of 239.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-ethylsulfonylphenyl)methanamine is sourced from PubChem (CID 71015786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).