1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol

C10H14BrNOS — CID 130770047

IUPAC1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2cc(Br)cs2)CC1O
InChIInChI=1S/C10H14BrNOS/c1-7-3-12(5-10(7)13)4-9-2-8(11)6-14-9/h2,6-7,10,13H,3-5H2,1H3
InChIKeyRTBVMOWHIXIEBY-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.32
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol

1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 130770047) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID130770047
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2cc(Br)cs2)CC1O
InChIInChI=1S/C10H14BrNOS/c1-7-3-12(5-10(7)13)4-9-2-8(11)6-14-9/h2,6-7,10,13H,3-5H2,1H3
InChIKeyRTBVMOWHIXIEBY-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
CID 59332666
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
tert-butyl (2R)-4-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 168509822
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol (CID 130770047) is 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(Cc2cc(Br)cs2)CC1O.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is RTBVMOWHIXIEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-3-12(5-10(7)13)4-9-2-8(11)6-14-9/h2,6-7,10,13H,3-5H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol?
1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).