1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C11H17BrN2OS — CID 106885592

IUPAC1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)c1occc1Br
InChIInChI=1S/C11H17BrN2OS/c1-14(8-3-5-16-7-8)10(6-13)11-9(12)2-4-15-11/h2,4,8,10H,3,5-7,13H2,1H3
InChIKeyUXPSCMWLLWQSDL-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 106885592) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID106885592
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)c1occc1Br
InChIInChI=1S/C11H17BrN2OS/c1-14(8-3-5-16-7-8)10(6-13)11-9(12)2-4-15-11/h2,4,8,10H,3,5-7,13H2,1H3
InChIKeyUXPSCMWLLWQSDL-UHFFFAOYSA-N
XLogP2.48
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylphenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 79982911
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 54977279
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 114487766
1-(2-chloro-4-fluorophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 114064022
1-(2,4-dimethoxyphenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 43296464
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 83089582
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 115350832
1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106885623
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
N-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-N-methylthiolan-3-amine
CID 63368232
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106885671

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 106885592) is 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is CN(C1CCSC1)C(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is UXPSCMWLLWQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-14(8-3-5-16-7-8)10(6-13)11-9(12)2-4-15-11/h2,4,8,10H,3,5-7,13H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 305.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 106885592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).