(2S)-1-(5-bromothiophen-3-yl)propan-2-amine

C7H10BrNS — CID 96875895

IUPAC(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
SMILESC[C@H](N)Cc1csc(Br)c1
InChIInChI=1S/C7H10BrNS/c1-5(9)2-6-3-7(8)10-4-6/h3-5H,2,9H2,1H3/t5-/m0/s1
InChIKeyXNZQNYWSOHBKDJ-YFKPBYRVSA-N
MW220.14 g/mol
LogP2.40
Rot. Bonds2

About (2S)-1-(5-bromothiophen-3-yl)propan-2-amine

(2S)-1-(5-bromothiophen-3-yl)propan-2-amine (PubChem CID 96875895) has the molecular formula C7H10BrNS and a molecular weight of 220.14 g/mol. Its IUPAC name is (2S)-1-(5-bromothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
PubChem CID96875895
Molecular FormulaC7H10BrNS
Molecular Weight220.14 g/mol
Exact Mass218.97
IUPAC Name(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
SMILESC[C@H](N)Cc1csc(Br)c1
InChIInChI=1S/C7H10BrNS/c1-5(9)2-6-3-7(8)10-4-6/h3-5H,2,9H2,1H3/t5-/m0/s1
InChIKeyXNZQNYWSOHBKDJ-YFKPBYRVSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-bromothiophen-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-bromothiophen-3-yl)propan-2-amine (CID 96875895) is (2S)-1-(5-bromothiophen-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-bromothiophen-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-bromothiophen-3-yl)propan-2-amine is C[C@H](N)Cc1csc(Br)c1.
What is the InChIKey of (2S)-1-(5-bromothiophen-3-yl)propan-2-amine?
The InChIKey is XNZQNYWSOHBKDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-5(9)2-6-3-7(8)10-4-6/h3-5H,2,9H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-(5-bromothiophen-3-yl)propan-2-amine?
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine has a molecular weight of 220.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-bromothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 96875895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).