(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone

C10H13BrN2OS — CID 119482982

IUPAC(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(N)C2)c(Br)s1
InChIInChI=1S/C10H13BrN2OS/c1-6-4-8(9(11)15-6)10(14)13-3-2-7(12)5-13/h4,7H,2-3,5,12H2,1H3
InChIKeyXLTQYKHBWNQZJS-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.99
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone

(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone (PubChem CID 119482982) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone
PubChem CID119482982
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(N)C2)c(Br)s1
InChIInChI=1S/C10H13BrN2OS/c1-6-4-8(9(11)15-6)10(14)13-3-2-7(12)5-13/h4,7H,2-3,5,12H2,1H3
InChIKeyXLTQYKHBWNQZJS-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107027847
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119934451
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
(3-aminopyrrolidin-1-yl)-(3-bromo-2-chloro-5-fluorophenyl)methanone;hydrochloride
CID 171921513

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone (CID 119482982) is (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCC(N)C2)c(Br)s1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone?
The InChIKey is XLTQYKHBWNQZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-6-4-8(9(11)15-6)10(14)13-3-2-7(12)5-13/h4,7H,2-3,5,12H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone?
(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone has a molecular weight of 289.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 119482982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).