(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine

C7H11BrN2S — CID 131145468

IUPAC(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2S/c8-5-3-7(11-4-5)6(10)1-2-9/h3-4,6H,1-2,9-10H2/t6-/m1/s1
InChIKeyVOCLOWJHLBMMJJ-ZCFIWIBFSA-N
MW235.15 g/mol
LogP1.86
Rot. Bonds3

About (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine

(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine (PubChem CID 131145468) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
PubChem CID131145468
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2S/c8-5-3-7(11-4-5)6(10)1-2-9/h3-4,6H,1-2,9-10H2/t6-/m1/s1
InChIKeyVOCLOWJHLBMMJJ-ZCFIWIBFSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-(4-bromothiophen-2-yl)oct-7-en-1-amine
CID 107009134
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
CID 116849246
1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949322
1-(4-bromothiophen-2-yl)-2-propoxyethanamine
CID 79575561
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine (CID 131145468) is (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine is NCC[C@@H](N)c1cc(Br)cs1.
What is the InChIKey of (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine?
The InChIKey is VOCLOWJHLBMMJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11BrN2S/c8-5-3-7(11-4-5)6(10)1-2-9/h3-4,6H,1-2,9-10H2/t6-/m1/s1.
What are the key properties of (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine?
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine has a molecular weight of 235.15 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 131145468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).