(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide

C14H20N2O2S — CID 119295189

IUPAC(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C14H20N2O2S/c1-19-7-6-12(15)14(17)16-11-8-10-4-2-3-5-13(10)18-9-11/h2-5,11-12H,6-9,15H2,1H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyOVAMTVZQBNIFKL-KIYNQFGBSA-N
MW280.39 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide (PubChem CID 119295189) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide
PubChem CID119295189
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C14H20N2O2S/c1-19-7-6-12(15)14(17)16-11-8-10-4-2-3-5-13(10)18-9-11/h2-5,11-12H,6-9,15H2,1H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyOVAMTVZQBNIFKL-KIYNQFGBSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-methylsulfanylbutanoic acid
CID 43241896
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylsulfanylbutanamide
CID 61211160
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide (CID 119295189) is (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1COc2ccccc2C1.
What is the InChIKey of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide?
The InChIKey is OVAMTVZQBNIFKL-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-7-6-12(15)14(17)16-11-8-10-4-2-3-5-13(10)18-9-11/h2-5,11-12H,6-9,15H2,1H3,(H,16,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 119295189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).