(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone

C11H16N2OS — CID 61102350

IUPAC(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCCC2C)cc1N
InChIInChI=1S/C11H16N2OS/c1-7-4-3-5-13(7)11(14)10-6-9(12)8(2)15-10/h6-7H,3-5,12H2,1-2H3
InChIKeyCALDCARHANBBEH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.26
Rot. Bonds1

About (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 61102350) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID61102350
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCCC2C)cc1N
InChIInChI=1S/C11H16N2OS/c1-7-4-3-5-13(7)11(14)10-6-9(12)8(2)15-10/h6-7H,3-5,12H2,1-2H3
InChIKeyCALDCARHANBBEH-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61109998
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61103279
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
[3-amino-4-(trifluoromethyl)phenyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 172649573
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 61108625
ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
CID 61113750
(4-amino-5-methylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796719

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 61102350) is (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone is Cc1sc(C(=O)N2CCCC2C)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is CALDCARHANBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-4-3-5-13(7)11(14)10-6-9(12)8(2)15-10/h6-7H,3-5,12H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61102350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).