(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C15H18N2O3S — CID 103358748

IUPAC(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc2c(N)c(C(=O)N3CCC(C)(O)C3)sc2c1
InChIInChI=1S/C15H18N2O3S/c1-15(19)5-6-17(8-15)14(18)13-12(16)10-4-3-9(20-2)7-11(10)21-13/h3-4,7,19H,5-6,8,16H2,1-2H3
InChIKeyPVIHFEPQICFHDG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.09
Rot. Bonds2

About (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358748) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358748
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc2c(N)c(C(=O)N3CCC(C)(O)C3)sc2c1
InChIInChI=1S/C15H18N2O3S/c1-15(19)5-6-17(8-15)14(18)13-12(16)10-4-3-9(20-2)7-11(10)21-13/h3-4,7,19H,5-6,8,16H2,1-2H3
InChIKeyPVIHFEPQICFHDG-UHFFFAOYSA-N
XLogP2.09
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358748) is (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is COc1ccc2c(N)c(C(=O)N3CCC(C)(O)C3)sc2c1.
What is the InChIKey of (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is PVIHFEPQICFHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(19)5-6-17(8-15)14(18)13-12(16)10-4-3-9(20-2)7-11(10)21-13/h3-4,7,19H,5-6,8,16H2,1-2H3.
What are the key properties of (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).