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

C11H18BrNS2 — CID 104923022

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS2/c1-14-8-4-2-3-7-13-9-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3
InChIKeySPVVOPZXRAWQAB-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.13
Rot. Bonds8

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

N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine (PubChem CID 104923022) has the molecular formula C11H18BrNS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
PubChem CID104923022
Molecular FormulaC11H18BrNS2
Molecular Weight308.31 g/mol
Exact Mass307.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS2/c1-14-8-4-2-3-7-13-9-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3
InChIKeySPVVOPZXRAWQAB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111626768
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-4-chloropentan-1-amine
CID 106121901
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
N-[(5-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine;hydrochloride
CID 115614482
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983195
N-[(5-bromothiophen-2-yl)methyl]pent-4-yn-1-amine
CID 115656497
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626225
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 102835841
4-[(5-bromothiophen-2-yl)methylamino]-2,2-dimethylbutanoic acid
CID 115221121

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine (CID 104923022) is N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine is CSCCCCCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine?
The InChIKey is SPVVOPZXRAWQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS2/c1-14-8-4-2-3-7-13-9-10-5-6-11(12)15-10/h5-6,13H,2-4,7-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine has a molecular weight of 308.31 g/mol, XLogP of 4.13, 8 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]-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).