2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone

C10H13BrN2OS — CID 116851326

IUPAC2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c11-7-5-8(15-6-7)9(12)10(14)13-3-1-2-4-13/h5-6,9H,1-4,12H2
InChIKeyKLBUYEHJFICVEZ-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.13
Rot. Bonds2

About 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone

2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 116851326) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID116851326
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c11-7-5-8(15-6-7)9(12)10(14)13-3-1-2-4-13/h5-6,9H,1-4,12H2
InChIKeyKLBUYEHJFICVEZ-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851346
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 116851324
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398
1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194737

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone (CID 116851326) is 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone is NC(C(=O)N1CCCC1)c1cc(Br)cs1.
What is the InChIKey of 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is KLBUYEHJFICVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-7-5-8(15-6-7)9(12)10(14)13-3-1-2-4-13/h5-6,9H,1-4,12H2.
What are the key properties of 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 289.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 116851326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).