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

C10H15Br2NS2 — CID 102837684

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS2/c1-3-14-6-7(2)13-5-8-4-9(11)10(12)15-8/h4,7,13H,3,5-6H2,1-2H3
InChIKeyUHMQLTFQPJVUIS-UHFFFAOYSA-N
MW373.18 g/mol
LogP4.50
Rot. Bonds6

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

N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine (PubChem CID 102837684) has the molecular formula C10H15Br2NS2 and a molecular weight of 373.18 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
PubChem CID102837684
Molecular FormulaC10H15Br2NS2
Molecular Weight373.18 g/mol
Exact Mass370.90
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS2/c1-3-14-6-7(2)13-5-8-4-9(11)10(12)15-8/h4,7,13H,3,5-6H2,1-2H3
InChIKeyUHMQLTFQPJVUIS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115694090
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
2-[5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 113498991
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 102831700
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine (CID 102837684) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine is CCSCC(C)NCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The InChIKey is UHMQLTFQPJVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NS2/c1-3-14-6-7(2)13-5-8-4-9(11)10(12)15-8/h4,7,13H,3,5-6H2,1-2H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine has a molecular weight of 373.18 g/mol, XLogP of 4.50, 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]-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 102837684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).