2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol

C13H21NO3S — CID 43207170

IUPAC2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-12(9-15)14-10(2)11-5-7-13(8-6-11)18(3,16)17/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyMGLJCDZIKPGGOH-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol

2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol (PubChem CID 43207170) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
PubChem CID43207170
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-12(9-15)14-10(2)11-5-7-13(8-6-11)18(3,16)17/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyMGLJCDZIKPGGOH-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
ethyl 2-[1-(4-methylsulfonylphenyl)ethylamino]propanoate
CID 61498386
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol (CID 43207170) is 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol?
The InChIKey is MGLJCDZIKPGGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-12(9-15)14-10(2)11-5-7-13(8-6-11)18(3,16)17/h5-8,10,12,14-15H,4,9H2,1-3H3.
What are the key properties of 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol?
2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol has a molecular weight of 271.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 43207170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).