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

C10H14BrNOS — CID 131209423

IUPAC1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccsc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-10(13)3-4-12(7-10)6-8-2-5-14-9(8)11/h2,5,13H,3-4,6-7H2,1H3
InChIKeyMTVOQOWKUKERRY-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds2

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

1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 131209423) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID131209423
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccsc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-10(13)3-4-12(7-10)6-8-2-5-14-9(8)11/h2,5,13H,3-4,6-7H2,1H3
InChIKeyMTVOQOWKUKERRY-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[(2-bromothiophen-3-yl)methyl]-3-propan-2-ylazetidine
CID 127007438
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103356684
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103748001
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103358276

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol (CID 131209423) is 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccsc2Br)C1.
What is the InChIKey of 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is MTVOQOWKUKERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-10(13)3-4-12(7-10)6-8-2-5-14-9(8)11/h2,5,13H,3-4,6-7H2,1H3.
What are the key properties of 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol?
1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 131209423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).