N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine

C10H14BrNO3S — CID 104651994

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3S/c1-7(9-2-3-10(11)15-9)12-8-4-5-16(13,14)6-8/h2-3,7-8,12H,4-6H2,1H3
InChIKeySKUFEIYMUDBGFN-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 104651994) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID104651994
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3S/c1-7(9-2-3-10(11)15-9)12-8-4-5-16(13,14)6-8/h2-3,7-8,12H,4-6H2,1H3
InChIKeySKUFEIYMUDBGFN-UHFFFAOYSA-N
XLogP1.88
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81422839
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43177596
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
N-[1-(3,4-dichlorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43082206
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
CID 164654731
(3S)-N-[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]-1,1-dioxothiolan-3-amine
CID 97229340
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81375776
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115878917
2-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4-methoxyphenol
CID 43190984

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 104651994) is N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine is CC(NC1CCS(=O)(=O)C1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is SKUFEIYMUDBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-7(9-2-3-10(11)15-9)12-8-4-5-16(13,14)6-8/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 308.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 104651994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).