[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone

C15H22N2O2S — CID 103506756

IUPAC[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCOc1c(N2CC(C)C(C)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-8-6-17(7-9(8)2)15-13(19-3)11(16)14(20-15)12(18)10-4-5-10/h8-10H,4-7,16H2,1-3H3
InChIKeyFRSXIHMCMIKXOZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.02
Rot. Bonds4

About [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103506756) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103506756
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCOc1c(N2CC(C)C(C)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-8-6-17(7-9(8)2)15-13(19-3)11(16)14(20-15)12(18)10-4-5-10/h8-10H,4-7,16H2,1-3H3
InChIKeyFRSXIHMCMIKXOZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103506755
[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506662
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103418540
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
methyl 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103506728
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone (CID 103506756) is [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone is COc1c(N2CC(C)C(C)C2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is FRSXIHMCMIKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-8-6-17(7-9(8)2)15-13(19-3)11(16)14(20-15)12(18)10-4-5-10/h8-10H,4-7,16H2,1-3H3.
What are the key properties of [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 294.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103506756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).