N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine

C10H14BrNOS — CID 130863024

IUPACN-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1ccc(Br)o1)C1CCSC1
InChIInChI=1S/C10H14BrNOS/c1-12(8-4-5-14-7-8)6-9-2-3-10(11)13-9/h2-3,8H,4-7H2,1H3
InChIKeyJHFNFGQQMIEMCV-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.98
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine

N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine (PubChem CID 130863024) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
PubChem CID130863024
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1ccc(Br)o1)C1CCSC1
InChIInChI=1S/C10H14BrNOS/c1-12(8-4-5-14-7-8)6-9-2-3-10(11)13-9/h2-3,8H,4-7H2,1H3
InChIKeyJHFNFGQQMIEMCV-UHFFFAOYSA-N
XLogP2.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine (CID 130863024) is N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine is CN(Cc1ccc(Br)o1)C1CCSC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine?
The InChIKey is JHFNFGQQMIEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12(8-4-5-14-7-8)6-9-2-3-10(11)13-9/h2-3,8H,4-7H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine?
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine has a molecular weight of 276.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 130863024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).