N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine

C14H21NO3S — CID 43807424

IUPACN-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO3S/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3
InChIKeySUSVVCOSJCLENR-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.75
Rot. Bonds8

About N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine

N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43807424) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43807424
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO3S/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3
InChIKeySUSVVCOSJCLENR-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
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3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine (CID 43807424) is N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine is CCS(=O)(=O)CCOc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is SUSVVCOSJCLENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3.
What are the key properties of N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 283.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43807424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).