3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine

C15H25NO3S — CID 64697398

IUPAC3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-5-19-13(10-16)11-20(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3
InChIKeyJCEDJZTVZMXGCB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine

3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine (PubChem CID 64697398) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
PubChem CID64697398
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-5-19-13(10-16)11-20(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3
InChIKeyJCEDJZTVZMXGCB-UHFFFAOYSA-N
XLogP2.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
2-amino-3-(4-tert-butylphenyl)sulfonylpropanoic acid
CID 65443030
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568
1-(bromomethylsulfonyl)-4-tert-butylbenzene
CID 66789590
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
1-(4-tert-butylphenyl)sulfonyl-3-(methylamino)propan-2-ol
CID 79022605
2-ethoxy-3-(4-methylsulfonylphenyl)sulfinylpropan-1-amine
CID 81333630
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
2,2-diethoxyethylsulfonylbenzene
CID 11436831
tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate
CID 116688168

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine (CID 64697398) is 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine?
The InChIKey is JCEDJZTVZMXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-19-13(10-16)11-20(17,18)14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10-11,16H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine?
3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 64697398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).