(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide

C15H22N2O2S — CID 157013097

IUPAC(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2S/c1-15(2,20-3)13(16)14(18)17-9-10-4-5-12-11(8-10)6-7-19-12/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNEBNBWZBNULBIV-CYBMUJFWSA-N
MW294.42 g/mol
LogP1.71
Rot. Bonds5

About (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide (PubChem CID 157013097) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide
PubChem CID157013097
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2S/c1-15(2,20-3)13(16)14(18)17-9-10-4-5-12-11(8-10)6-7-19-12/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNEBNBWZBNULBIV-CYBMUJFWSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide with MolForge

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Related Compounds

acetic acid;(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide
CID 163340453
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
CID 142891379
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide (CID 157013097) is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide is CSC(C)(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide?
The InChIKey is NEBNBWZBNULBIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,20-3)13(16)14(18)17-9-10-4-5-12-11(8-10)6-7-19-12/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide?
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide is sourced from PubChem (CID 157013097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).