(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

C10H12BrNOS — CID 62613244

IUPAC(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNOS/c1-7-2-4-12(6-7)10(13)9-8(11)3-5-14-9/h3,5,7H,2,4,6H2,1H3
InChIKeyPWTSAVONLDKNLD-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.99
Rot. Bonds1

About (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62613244) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62613244
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNOS/c1-7-2-4-12(6-7)10(13)9-8(11)3-5-14-9/h3,5,7H,2,4,6H2,1H3
InChIKeyPWTSAVONLDKNLD-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850
(3-bromothiophen-2-yl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801052
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 99598727
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 62613244) is (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2sccc2Br)C1.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is PWTSAVONLDKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-7-2-4-12(6-7)10(13)9-8(11)3-5-14-9/h3,5,7H,2,4,6H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 274.18 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62613244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).