N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine

C13H19NO3S — CID 54937034

IUPACN-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)9-8-17-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyUTPPLZJECYWELB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds7

About N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine

N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 54937034) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID54937034
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)9-8-17-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3
InChIKeyUTPPLZJECYWELB-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[5-chloro-3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 104664947
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine (CID 54937034) is N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine is CS(=O)(=O)CCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is UTPPLZJECYWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(15,16)9-8-17-13-5-3-2-4-11(13)10-14-12-6-7-12/h2-5,12,14H,6-10H2,1H3.
What are the key properties of N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 269.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54937034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).