(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone

C10H12BrNOS — CID 116580442

IUPAC(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2sccc2Br)CCCN1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyPWCFESKOPYQPIA-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.84
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone

(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580442) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580442
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2sccc2Br)CCCN1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyPWCFESKOPYQPIA-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone 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

2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580497
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
CID 116568008
(3-bromothiophen-2-yl)-(1-hydroxycyclohexyl)methanone
CID 103449752
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011
(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570545
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
3-bromo-N-[(1-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 103753311
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580442) is (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2sccc2Br)CCCN1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is PWCFESKOPYQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 274.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).