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

C11H16BrNOS — CID 103885793

IUPAC[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CN2CCC[C@H]2CO)sc1Br
InChIInChI=1S/C11H16BrNOS/c1-8-5-10(15-11(8)12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyOYPXMUNVWWEWSV-VIFPVBQESA-N
MW290.23 g/mol
LogP2.78
Rot. Bonds3

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

[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 103885793) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID103885793
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CN2CCC[C@H]2CO)sc1Br
InChIInChI=1S/C11H16BrNOS/c1-8-5-10(15-11(8)12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyOYPXMUNVWWEWSV-VIFPVBQESA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885780
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885811
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
CID 102841560
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
2-[1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79981389

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 103885793) is [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is Cc1cc(CN2CCC[C@H]2CO)sc1Br.
What is the InChIKey of [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OYPXMUNVWWEWSV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-5-10(15-11(8)12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103885793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).