(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone

C10H12Br2N2OS — CID 107963765

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)sc2Br)CC1N
InChIInChI=1S/C10H12Br2N2OS/c1-5-3-14(4-7(5)13)10(15)6-2-8(11)16-9(6)12/h2,5,7H,3-4,13H2,1H3
InChIKeyYAWYRZHMMXVSOA-UHFFFAOYSA-N
MW368.09 g/mol
LogP2.69
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 107963765) has the molecular formula C10H12Br2N2OS and a molecular weight of 368.09 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID107963765
Molecular FormulaC10H12Br2N2OS
Molecular Weight368.09 g/mol
Exact Mass365.90
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)sc2Br)CC1N
InChIInChI=1S/C10H12Br2N2OS/c1-5-3-14(4-7(5)13)10(15)6-2-8(11)16-9(6)12/h2,5,7H,3-4,13H2,1H3
InChIKeyYAWYRZHMMXVSOA-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(3-amino-4-methylpyrrolidin-1-yl)-(3-bromo-2-chlorophenyl)methanone
CID 103575762
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963486
(2,5-dibromothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806970
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2,5-dibromothiophen-3-yl)methanone;hydrochloride
CID 120656350
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342
(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103745564
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 103575979
(3-amino-4-methylpyrrolidin-1-yl)-(2,3-dichloro-5-nitrophenyl)methanone
CID 107192159

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone (CID 107963765) is (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone is CC1CN(C(=O)c2cc(Br)sc2Br)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is YAWYRZHMMXVSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2OS/c1-5-3-14(4-7(5)13)10(15)6-2-8(11)16-9(6)12/h2,5,7H,3-4,13H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 368.09 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 107963765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).