(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

C15H18N2OS — CID 107112894

IUPAC(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3CCC(C)C3)sc12
InChIInChI=1S/C15H18N2OS/c1-9-6-7-17(8-9)15(18)14-12(16)11-5-3-4-10(2)13(11)19-14/h3-5,9H,6-8,16H2,1-2H3
InChIKeyPHGWCRLTNDWNRW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.27
Rot. Bonds1

About (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 107112894) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID107112894
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3CCC(C)C3)sc12
InChIInChI=1S/C15H18N2OS/c1-9-6-7-17(8-9)15(18)14-12(16)11-5-3-4-10(2)13(11)19-14/h3-5,9H,6-8,16H2,1-2H3
InChIKeyPHGWCRLTNDWNRW-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-7-methyl-1-benzothiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 107113078
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107113136
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 107112800
(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970975
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 114907655
(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970960
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683837

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 107112894) is (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is Cc1cccc2c(N)c(C(=O)N3CCC(C)C3)sc12.
What is the InChIKey of (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is PHGWCRLTNDWNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-6-7-17(8-9)15(18)14-12(16)11-5-3-4-10(2)13(11)19-14/h3-5,9H,6-8,16H2,1-2H3.
What are the key properties of (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107112894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).