N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide

C14H22N2O3S — CID 43634854

IUPACN-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
SMILESCOc1cccc(C2CC(NCCNS(C)(=O)=O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-16-20(2,17)18/h3-5,10,12-13,15-16H,6-9H2,1-2H3
InChIKeyDYJXZGZBSJCNOJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide

N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide (PubChem CID 43634854) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
PubChem CID43634854
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
SMILESCOc1cccc(C2CC(NCCNS(C)(=O)=O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-16-20(2,17)18/h3-5,10,12-13,15-16H,6-9H2,1-2H3
InChIKeyDYJXZGZBSJCNOJ-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide (CID 43634854) is N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide is COc1cccc(C2CC(NCCNS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide?
The InChIKey is DYJXZGZBSJCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-16-20(2,17)18/h3-5,10,12-13,15-16H,6-9H2,1-2H3.
What are the key properties of N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide?
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).