(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide

C11H17N3O3S2 — CID 104906786

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S2/c1-18-6-5-10(12)11(15)14-8-3-2-4-9(7-8)19(13,16)17/h2-4,7,10H,5-6,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m1/s1
InChIKeyOODWGWCWYWOWSE-SNVBAGLBSA-N
MW303.41 g/mol
LogP0.35
Rot. Bonds6

About (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide (PubChem CID 104906786) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
PubChem CID104906786
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S2/c1-18-6-5-10(12)11(15)14-8-3-2-4-9(7-8)19(13,16)17/h2-4,7,10H,5-6,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m1/s1
InChIKeyOODWGWCWYWOWSE-SNVBAGLBSA-N
XLogP0.35
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
(2S)-2-amino-4-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262501
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]butanamide;hydrochloride
CID 119324021
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfinylphenyl)butanamide
CID 119300627
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate;hydrochloride
CID 119266102
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 61178728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide (CID 104906786) is (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide is CSCC[C@@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide?
The InChIKey is OODWGWCWYWOWSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-18-6-5-10(12)11(15)14-8-3-2-4-9(7-8)19(13,16)17/h2-4,7,10H,5-6,12H2,1H3,(H,14,15)(H2,13,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide has a molecular weight of 303.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 104906786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).