N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine

C10H15NO3S — CID 81402788

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESC[C@@H](NC1CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C10H15NO3S/c1-8(10-3-2-5-14-10)11-9-4-6-15(12,13)7-9/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9?/m1/s1
InChIKeyFYNJSGOLMUEOGM-VEDVMXKPSA-N
MW229.30 g/mol
LogP1.12
Rot. Bonds3

About N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 81402788) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID81402788
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESC[C@@H](NC1CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C10H15NO3S/c1-8(10-3-2-5-14-10)11-9-4-6-15(12,13)7-9/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9?/m1/s1
InChIKeyFYNJSGOLMUEOGM-VEDVMXKPSA-N
XLogP1.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 104651994
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43177596
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 81402767
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 81402788) is N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine is C[C@@H](NC1CCS(=O)(=O)C1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is FYNJSGOLMUEOGM-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8(10-3-2-5-14-10)11-9-4-6-15(12,13)7-9/h2-3,5,8-9,11H,4,6-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 229.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 81402788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).