N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline

C12H14F3NO2S — CID 43427667

IUPACN-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCC1CCC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-7-2-1-6-10(11)16-8-9-4-3-5-9/h1-2,6-7,9,16H,3-5,8H2
InChIKeyFFUFEMAMHISGFW-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.19
Rot. Bonds4

About N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline

N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 43427667) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID43427667
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCC1CCC1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-7-2-1-6-10(11)16-8-9-4-3-5-9/h1-2,6-7,9,16H,3-5,8H2
InChIKeyFFUFEMAMHISGFW-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
N-(thian-4-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 115625279
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 133284902
2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline (CID 43427667) is N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccccc1NCC1CCC1)C(F)(F)F.
What is the InChIKey of N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is FFUFEMAMHISGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-7-2-1-6-10(11)16-8-9-4-3-5-9/h1-2,6-7,9,16H,3-5,8H2.
What are the key properties of N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline?
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 293.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).