(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride

C11H16ClNO2S — CID 171320191

IUPAC(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
SMILESCS(=O)(=O)C=C[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-15(13,14)8-7-11(12)9-10-5-3-2-4-6-10;/h2-8,11H,9,12H2,1H3;1H/t11-;/m0./s1
InChIKeyUJCKXQIBITWDIW-MERQFXBCSA-N
MW261.77 g/mol
LogP1.54
Rot. Bonds4

About (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride

(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride (PubChem CID 171320191) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
PubChem CID171320191
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
SMILESCS(=O)(=O)C=C[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-15(13,14)8-7-11(12)9-10-5-3-2-4-6-10;/h2-8,11H,9,12H2,1H3;1H/t11-;/m0./s1
InChIKeyUJCKXQIBITWDIW-MERQFXBCSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,4-diphenylbut-3-en-2-amine
CID 123901832
1,4-diphenylbut-3-en-2-amine
CID 77474481
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
1,12-diphenyldodeca-3,9-diene-2,11-diamine
CID 78292163
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
(E)-3-amino-4-phenylbut-1-ene-1-sulfinic acid
CID 143275368
(2S,3E)-6-methyl-1-phenylhepta-3,5-dien-2-amine
CID 10679593
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
N-(1-amino-2-phenylethyl)ethanesulfonamide
CID 69257411
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride?
The IUPAC name of (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride (CID 171320191) is (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride.
What is the SMILES notation for (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride?
The canonical SMILES for (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride is CS(=O)(=O)C=C[C@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride?
The InChIKey is UJCKXQIBITWDIW-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c1-15(13,14)8-7-11(12)9-10-5-3-2-4-6-10;/h2-8,11H,9,12H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride?
(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride is sourced from PubChem (CID 171320191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).