N-(cyclobutylmethyl)-2-propylsulfonylaniline

C14H21NO2S — CID 43383343

IUPACN-(cyclobutylmethyl)-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCC1CCC1
InChIInChI=1S/C14H21NO2S/c1-2-10-18(16,17)14-9-4-3-8-13(14)15-11-12-6-5-7-12/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3
InChIKeyUZGFVQKKAUXTFG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds6

About N-(cyclobutylmethyl)-2-propylsulfonylaniline

N-(cyclobutylmethyl)-2-propylsulfonylaniline (PubChem CID 43383343) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-propylsulfonylaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-propylsulfonylaniline
PubChem CID43383343
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(cyclobutylmethyl)-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCC1CCC1
InChIInChI=1S/C14H21NO2S/c1-2-10-18(16,17)14-9-4-3-8-13(14)15-11-12-6-5-7-12/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3
InChIKeyUZGFVQKKAUXTFG-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propylsulfonylaniline
CID 81041514
N-ethyl-2-propylsulfonylaniline
CID 43453634
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107414093
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
CID 107419404
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-propylsulfonylaniline?
The IUPAC name of N-(cyclobutylmethyl)-2-propylsulfonylaniline (CID 43383343) is N-(cyclobutylmethyl)-2-propylsulfonylaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-2-propylsulfonylaniline?
The canonical SMILES for N-(cyclobutylmethyl)-2-propylsulfonylaniline is CCCS(=O)(=O)c1ccccc1NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-propylsulfonylaniline?
The InChIKey is UZGFVQKKAUXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-10-18(16,17)14-9-4-3-8-13(14)15-11-12-6-5-7-12/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-propylsulfonylaniline?
N-(cyclobutylmethyl)-2-propylsulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-propylsulfonylaniline is sourced from PubChem (CID 43383343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).