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

C11H16BrNO2S — CID 103885780

IUPAC[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1sc(CN2CCC[C@H]2CO)cc1Br
InChIInChI=1S/C11H16BrNO2S/c1-15-11-10(12)5-9(16-11)6-13-4-2-3-8(13)7-14/h5,8,14H,2-4,6-7H2,1H3/t8-/m0/s1
InChIKeyGTODFOGXZLOVNI-QMMMGPOBSA-N
MW306.23 g/mol
LogP2.48
Rot. Bonds4

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

[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 103885780) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID103885780
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1sc(CN2CCC[C@H]2CO)cc1Br
InChIInChI=1S/C11H16BrNO2S/c1-15-11-10(12)5-9(16-11)6-13-4-2-3-8(13)7-14/h5,8,14H,2-4,6-7H2,1H3/t8-/m0/s1
InChIKeyGTODFOGXZLOVNI-QMMMGPOBSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885793
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
3-[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 102845006
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
CID 102841560
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(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-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 103885780) is [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is COc1sc(CN2CCC[C@H]2CO)cc1Br.
What is the InChIKey of [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GTODFOGXZLOVNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-15-11-10(12)5-9(16-11)6-13-4-2-3-8(13)7-14/h5,8,14H,2-4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 306.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103885780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).