(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide

C15H21FN2OS — CID 103928686

IUPAC(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C15H21FN2OS/c1-15(2,3)13(17)14(19)18-11-6-7-20-12-5-4-9(16)8-10(11)12/h4-5,8,11,13H,6-7,17H2,1-3H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyKEYZEICPQQWXDK-YUZLPWPTSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds2

About (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide (PubChem CID 103928686) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
PubChem CID103928686
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C15H21FN2OS/c1-15(2,3)13(17)14(19)18-11-6-7-20-12-5-4-9(16)8-10(11)12/h4-5,8,11,13H,6-7,17H2,1-3H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyKEYZEICPQQWXDK-YUZLPWPTSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide with MolForge

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Related Compounds

2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxypropanamide
CID 81082533
3-amino-4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-oxobutanoic acid
CID 64897046
2-amino-3,3,3-trifluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanamide
CID 79791424
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
4-tert-butyl-N-[(2S)-1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 55935959
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide (CID 103928686) is (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide?
The InChIKey is KEYZEICPQQWXDK-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-15(2,3)13(17)14(19)18-11-6-7-20-12-5-4-9(16)8-10(11)12/h4-5,8,11,13H,6-7,17H2,1-3H3,(H,18,19)/t11?,13-/m0/s1.
What are the key properties of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide has a molecular weight of 296.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).