(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide

C11H15BrN2OS — CID 104906820

IUPAC(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H15BrN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyALFSTDXXAGXHIO-SECBINFHSA-N
MW303.23 g/mol
LogP2.47
Rot. Bonds5

About (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide (PubChem CID 104906820) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
PubChem CID104906820
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H15BrN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyALFSTDXXAGXHIO-SECBINFHSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
CID 104906824
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate
CID 104907008
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
CID 107599885
2-[(2-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61190148
ethyl 4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-bromobenzoate
CID 104907184
(2S)-2-amino-N-[1-(2-bromophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119341140
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104907066
(2S)-2-amino-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 154912746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide (CID 104906820) is (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)Nc1ccccc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide?
The InChIKey is ALFSTDXXAGXHIO-SECBINFHSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide has a molecular weight of 303.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).