N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine

C16H23NO3S — CID 103273919

IUPACN-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCS(=O)(=O)c1cccc(OC2(CCNC3CC3)CCC2)c1
InChIInChI=1S/C16H23NO3S/c1-21(18,19)15-5-2-4-14(12-15)20-16(8-3-9-16)10-11-17-13-6-7-13/h2,4-5,12-13,17H,3,6-11H2,1H3
InChIKeyXXMSOJJXTKQLAM-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.53
Rot. Bonds7

About N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103273919) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103273919
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCS(=O)(=O)c1cccc(OC2(CCNC3CC3)CCC2)c1
InChIInChI=1S/C16H23NO3S/c1-21(18,19)15-5-2-4-14(12-15)20-16(8-3-9-16)10-11-17-13-6-7-13/h2,4-5,12-13,17H,3,6-11H2,1H3
InChIKeyXXMSOJJXTKQLAM-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273773
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274216
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-methylsulfonylbenzene
CID 65008108
N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199529
N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199408
N-[2-[1-[2-(dimethylamino)ethoxy]cyclobutyl]ethyl]cyclopropanamine
CID 103273656
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103273919) is N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine is CS(=O)(=O)c1cccc(OC2(CCNC3CC3)CCC2)c1.
What is the InChIKey of N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is XXMSOJJXTKQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-21(18,19)15-5-2-4-14(12-15)20-16(8-3-9-16)10-11-17-13-6-7-13/h2,4-5,12-13,17H,3,6-11H2,1H3.
What are the key properties of N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 309.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103273919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).