1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine

C15H25NO2S — CID 115842897

IUPAC1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine
SMILESCC(C(N)Cc1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-11(19(5,17)18)14(16)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14H,10,16H2,1-5H3
InChIKeySEFIEIPQTFZUIF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine

1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine (PubChem CID 115842897) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine
PubChem CID115842897
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine
SMILESCC(C(N)Cc1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-11(19(5,17)18)14(16)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14H,10,16H2,1-5H3
InChIKeySEFIEIPQTFZUIF-UHFFFAOYSA-N
XLogP2.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4S)-2-amino-1-(4-tert-butylphenyl)-6-methylheptane-3,4-diol
CID 57286742
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
(2S)-3-amino-4-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 57349754
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105
4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794244
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]propan-2-ol
CID 117114490
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine (CID 115842897) is 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine is CC(C(N)Cc1ccc(C(C)(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine?
The InChIKey is SEFIEIPQTFZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(19(5,17)18)14(16)10-12-6-8-13(9-7-12)15(2,3)4/h6-9,11,14H,10,16H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine?
1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 115842897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).