2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine

C15H23NO2S — CID 81416027

IUPAC2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-4-15(5-2)13(10-14(15)16)11-6-8-12(9-7-11)19(3,17)18/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyDVHOHVIXIMUFIM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.71
Rot. Bonds4

About 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine

2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine (PubChem CID 81416027) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine
PubChem CID81416027
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-4-15(5-2)13(10-14(15)16)11-6-8-12(9-7-11)19(3,17)18/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyDVHOHVIXIMUFIM-UHFFFAOYSA-N
XLogP2.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416147
1-(3-chloro-2,2-diethylcyclobutyl)oxy-4-methylsulfonylbenzene
CID 66345158
2-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 142836860
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 116937380
1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
CID 43598792
(4S,5S)-2,2-dimethyl-4-(4-methylsulfonylphenyl)-1,3-dioxan-5-amine
CID 11701937
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
1-ethyl-4-methylsulfonylbenzene
CID 143759723
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 91052710
4-(4-methylsulfonylphenyl)bicyclo[2.2.2]octan-1-amine
CID 58930118

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine (CID 81416027) is 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine is CCC1(CC)C(N)CC1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine?
The InChIKey is DVHOHVIXIMUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-15(5-2)13(10-14(15)16)11-6-8-12(9-7-11)19(3,17)18/h6-9,13-14H,4-5,10,16H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine?
2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-methylsulfonylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81416027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).