N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine

C15H25NO2S — CID 64639394

IUPACN-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
SMILESCCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-6-16-12(4)13(5)19(17,18)15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3
InChIKeySUTJLBBPLGLYEJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine

N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine (PubChem CID 64639394) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
PubChem CID64639394
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
SMILESCCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-6-16-12(4)13(5)19(17,18)15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3
InChIKeySUTJLBBPLGLYEJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
CID 64638782
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014
4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 63200044
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168569
[(2S)-2-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine?
The IUPAC name of N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine (CID 64639394) is N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine?
The canonical SMILES for N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine is CCNC(C)C(C)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine?
The InChIKey is SUTJLBBPLGLYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-16-12(4)13(5)19(17,18)15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3.
What are the key properties of N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine?
N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine is sourced from PubChem (CID 64639394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).