(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol

C10H14BrNOS — CID 103882978

IUPAC(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CC[C@H](O)C2)sc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-4-9(14-10(7)11)6-12-3-2-8(13)5-12/h4,8,13H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyPZSNTZNSUFEURK-QMMMGPOBSA-N
MW276.20 g/mol
LogP2.39
Rot. Bonds2

About (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 103882978) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
PubChem CID103882978
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CC[C@H](O)C2)sc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-4-9(14-10(7)11)6-12-3-2-8(13)5-12/h4,8,13H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyPZSNTZNSUFEURK-QMMMGPOBSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968136
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885793
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
CID 102841673

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol (CID 103882978) is (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol is Cc1cc(CN2CC[C@H](O)C2)sc1Br.
What is the InChIKey of (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is PZSNTZNSUFEURK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-4-9(14-10(7)11)6-12-3-2-8(13)5-12/h4,8,13H,2-3,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103882978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).