(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine

C14H20FNO2S — CID 99717553

IUPAC(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-19(11,17)18/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHUSTTXVJDGUMGE-BXUZGUMPSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds5

About (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine

(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 99717553) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID99717553
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-19(11,17)18/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHUSTTXVJDGUMGE-BXUZGUMPSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81039643
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
N-[(2,6-difluorophenyl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 71916404
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]propan-1-amine
CID 81043354
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306
(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-methylphenyl)propan-2-amine
CID 97103634
2-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 105119761
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine (CID 99717553) is (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine is CC[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccccc1F.
What is the InChIKey of (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is HUSTTXVJDGUMGE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-19(11,17)18/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine?
(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 99717553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).