[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol

C10H14BrNOS — CID 78942538

IUPAC[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)6-12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7H2/t8-/m0/s1
InChIKeyWGEMHJWCHNUTMS-QMMMGPOBSA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds3

About [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 78942538) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID78942538
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)6-12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7H2/t8-/m0/s1
InChIKeyWGEMHJWCHNUTMS-QMMMGPOBSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
[1-[4-[(5-bromothiophen-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114765
[(2R)-1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111333291
[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885793
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63582953
[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885780
1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47424733
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 78942538) is [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1ccc(Br)s1.
What is the InChIKey of [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WGEMHJWCHNUTMS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)6-12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 276.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 78942538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).