2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide

C15H21FN2OS — CID 119727121

IUPAC2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H21FN2OS/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyLAOLYCQNEUBZRO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide

2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide (PubChem CID 119727121) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
PubChem CID119727121
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H21FN2OS/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyLAOLYCQNEUBZRO-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methylpentanamide;hydrochloride
CID 119727134
(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119291334
4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 120588965
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 25393472
2-chloro-N-[1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55447542
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide (CID 119727121) is 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCSc2c(F)cccc21.
What is the InChIKey of 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide?
The InChIKey is LAOLYCQNEUBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide?
2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide is sourced from PubChem (CID 119727121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).