N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine

C11H18BrNOS2 — CID 115750427

IUPACN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCOc1sc(CNC(C)CCSC)cc1Br
InChIInChI=1S/C11H18BrNOS2/c1-8(4-5-15-3)13-7-9-6-10(12)11(14-2)16-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyUFINYFZARCFGFW-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.75
Rot. Bonds7

About N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115750427) has the molecular formula C11H18BrNOS2 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
PubChem CID115750427
Molecular FormulaC11H18BrNOS2
Molecular Weight324.31 g/mol
Exact Mass323.00
IUPAC NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCOc1sc(CNC(C)CCSC)cc1Br
InChIInChI=1S/C11H18BrNOS2/c1-8(4-5-15-3)13-7-9-6-10(12)11(14-2)16-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyUFINYFZARCFGFW-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115733065
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115750446
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 115750486
1-(4-Bromo-5-methoxythiophen-2-yl)-2,2-difluoroethan-1-amine
CID 165704101
1-(3-bromothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43760063
N-[1-(3-bromothiophen-2-yl)ethyl]-3-phenoxypropan-1-amine
CID 55068220
N-[(4-bromothiophen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanylethanamine
CID 55092020
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylethanamine
CID 55092224
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)sulfanylethanamine
CID 62581752
N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 75382046
N-[(3-bromo-5-methylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81121863
N-[(3-bromo-5-methylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122127

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine (CID 115750427) is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine is COc1sc(CNC(C)CCSC)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is UFINYFZARCFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS2/c1-8(4-5-15-3)13-7-9-6-10(12)11(14-2)16-9/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 324.31 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115750427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).