N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline

C14H21NO2S — CID 113488863

IUPACN-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
SMILESCCC1(Nc2ccc(S(=O)(=O)CC)cc2)CCC1
InChIInChI=1S/C14H21NO2S/c1-3-14(10-5-11-14)15-12-6-8-13(9-7-12)18(16,17)4-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyLPHVJAMNKRWAEU-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.22
Rot. Bonds5

About N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline

N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline (PubChem CID 113488863) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
PubChem CID113488863
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
SMILESCCC1(Nc2ccc(S(=O)(=O)CC)cc2)CCC1
InChIInChI=1S/C14H21NO2S/c1-3-14(10-5-11-14)15-12-6-8-13(9-7-12)18(16,17)4-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyLPHVJAMNKRWAEU-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline
CID 102846480
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine
CID 114696954
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
CID 81171823
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
4-ethylsulfonyl-N-[(1-methoxycyclobutyl)methyl]aniline
CID 102846526
4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
CID 63761185
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
3-amino-4-[(1-ethylcyclobutyl)amino]benzenesulfonamide
CID 113488592
N-(1-ethylcyclobutyl)-3-iodo-4-nitroaniline
CID 106493354
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline?
The IUPAC name of N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline (CID 113488863) is N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline.
What is the SMILES notation for N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline?
The canonical SMILES for N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline is CCC1(Nc2ccc(S(=O)(=O)CC)cc2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline?
The InChIKey is LPHVJAMNKRWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-14(10-5-11-14)15-12-6-8-13(9-7-12)18(16,17)4-2/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline?
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline is sourced from PubChem (CID 113488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).