(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C17H22N2OS — CID 107112800

IUPAC(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3C(C)CCCC3C)sc12
InChIInChI=1S/C17H22N2OS/c1-10-6-4-9-13-14(18)16(21-15(10)13)17(20)19-11(2)7-5-8-12(19)3/h4,6,9,11-12H,5,7-8,18H2,1-3H3
InChIKeyFOGJGVOEIQGBCT-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.20
Rot. Bonds1

About (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 107112800) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID107112800
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3C(C)CCCC3C)sc12
InChIInChI=1S/C17H22N2OS/c1-10-6-4-9-13-14(18)16(21-15(10)13)17(20)19-11(2)7-5-8-12(19)3/h4,6,9,11-12H,5,7-8,18H2,1-3H3
InChIKeyFOGJGVOEIQGBCT-UHFFFAOYSA-N
XLogP4.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
(3-amino-7-methyl-1-benzothiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 107113078
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107113136
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
CID 107112795
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
CID 107112879
3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 107112834

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 107112800) is (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone is Cc1cccc2c(N)c(C(=O)N3C(C)CCCC3C)sc12.
What is the InChIKey of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is FOGJGVOEIQGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10-6-4-9-13-14(18)16(21-15(10)13)17(20)19-11(2)7-5-8-12(19)3/h4,6,9,11-12H,5,7-8,18H2,1-3H3.
What are the key properties of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 302.44 g/mol, XLogP of 4.20, 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)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107112800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).