N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

C10H16BrNS2 — CID 63983195

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS2/c1-8(7-13-2)5-12-6-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyAQRNMIHTFPPCQB-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.60
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63983195) has the molecular formula C10H16BrNS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63983195
Molecular FormulaC10H16BrNS2
Molecular Weight294.28 g/mol
Exact Mass292.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS2/c1-8(7-13-2)5-12-6-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyAQRNMIHTFPPCQB-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876038
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-3-methylbutanoic acid
CID 115250321
(2S)-3-[(5-bromothiophen-2-yl)methylamino]propane-1,2-diol
CID 61149712
N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923022
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 115121348
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60744071
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[(5-bromothiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255698
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771
methyl 2-bromo-3-[(5-bromothiophen-2-yl)methylamino]propanoate
CID 103241115
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63983195) is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is AQRNMIHTFPPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS2/c1-8(7-13-2)5-12-6-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 294.28 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63983195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).