3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine

C7H12BrN3S — CID 115119369

IUPAC3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(Br)s1
InChIInChI=1S/C7H12BrN3S/c8-6-1-2-7(12-6)11-4-5(10)3-9/h1-2,5,11H,3-4,9-10H2
InChIKeyJMACGHUOICGZFT-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.21
Rot. Bonds4

About 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine

3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine (PubChem CID 115119369) has the molecular formula C7H12BrN3S and a molecular weight of 250.16 g/mol. Its IUPAC name is 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine
PubChem CID115119369
Molecular FormulaC7H12BrN3S
Molecular Weight250.16 g/mol
Exact Mass248.99
IUPAC Name3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(Br)s1
InChIInChI=1S/C7H12BrN3S/c8-6-1-2-7(12-6)11-4-5(10)3-9/h1-2,5,11H,3-4,9-10H2
InChIKeyJMACGHUOICGZFT-UHFFFAOYSA-N
XLogP1.21
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-5-bromothiophen-2-amine
CID 115214446
N'-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 115201662
N'-(5-bromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 115205563
4-[(5-bromothiophen-2-yl)amino]-2-methylbutanoic acid
CID 115220505
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 115121348
N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
CID 115188720
methyl 2-[(5-bromothiophen-2-yl)carbamoyl]butanoate
CID 115187822
3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
CID 115119376
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
CID 115161279
[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
CID 115246696
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine?
The IUPAC name of 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine (CID 115119369) is 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine is NCC(N)CNc1ccc(Br)s1.
What is the InChIKey of 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine?
The InChIKey is JMACGHUOICGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3S/c8-6-1-2-7(12-6)11-4-5(10)3-9/h1-2,5,11H,3-4,9-10H2.
What are the key properties of 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine?
3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine has a molecular weight of 250.16 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromothiophen-2-yl)propane-1,2,3-triamine is sourced from PubChem (CID 115119369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).