3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide

C15H18N2OS2 — CID 107112834

IUPAC3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C3CCSC3)sc12
InChIInChI=1S/C15H18N2OS2/c1-9-4-3-5-11-12(16)14(20-13(9)11)15(18)17(2)10-6-7-19-8-10/h3-5,10H,6-8,16H2,1-2H3
InChIKeyPLDJVHQWMXDEOG-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide

3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107112834) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID107112834
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C3CCSC3)sc12
InChIInChI=1S/C15H18N2OS2/c1-9-4-3-5-11-12(16)14(20-13(9)11)15(18)17(2)10-6-7-19-8-10/h3-5,10H,6-8,16H2,1-2H3
InChIKeyPLDJVHQWMXDEOG-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
CID 107112879
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038185
3-amino-N,7-dimethyl-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107112883
3-amino-7-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107112735
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
3-amino-N,N-bis(cyanomethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112769
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 107112800
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
5-amino-2,4-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide (CID 107112834) is 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)N(C)C3CCSC3)sc12.
What is the InChIKey of 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is PLDJVHQWMXDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-4-3-5-11-12(16)14(20-13(9)11)15(18)17(2)10-6-7-19-8-10/h3-5,10H,6-8,16H2,1-2H3.
What are the key properties of 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).