N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine

C9H13Br2NS2 — CID 102835841

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS2/c1-13-4-2-3-12-6-7-5-8(10)9(11)14-7/h5,12H,2-4,6H2,1H3
InChIKeyYNQFJZHSPJOEJD-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.12
Rot. Bonds6

About N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 102835841) has the molecular formula C9H13Br2NS2 and a molecular weight of 359.15 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID102835841
Molecular FormulaC9H13Br2NS2
Molecular Weight359.15 g/mol
Exact Mass356.89
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS2/c1-13-4-2-3-12-6-7-5-8(10)9(11)14-7/h5,12H,2-4,6H2,1H3
InChIKeyYNQFJZHSPJOEJD-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(4,5-dibromothiophen-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 102831295
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835
2-[(4,5-dibromothiophen-2-yl)methylamino]-N-methylethanesulfonamide
CID 106333932
N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923022
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenoxypropan-1-amine
CID 102835423
2,6-dibromo-4-[(3-methylsulfanylpropylamino)methyl]phenol
CID 107740808
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005329

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 102835841) is N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine is CSCCCNCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is YNQFJZHSPJOEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NS2/c1-13-4-2-3-12-6-7-5-8(10)9(11)14-7/h5,12H,2-4,6H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 359.15 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 102835841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).