N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide

C13H16N2OS2 — CID 80745817

IUPACN-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NC1CCCCNC1)c1cc2sccc2s1
InChIInChI=1S/C13H16N2OS2/c16-13(15-9-3-1-2-5-14-8-9)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,1-3,5,8H2,(H,15,16)
InChIKeyMLJYPQRHQPFVCX-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.83
Rot. Bonds2

About N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide

N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745817) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745817
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NC1CCCCNC1)c1cc2sccc2s1
InChIInChI=1S/C13H16N2OS2/c16-13(15-9-3-1-2-5-14-8-9)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,1-3,5,8H2,(H,15,16)
InChIKeyMLJYPQRHQPFVCX-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80744726
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194357
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
1-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 83211818

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 80745817) is N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide is O=C(NC1CCCCNC1)c1cc2sccc2s1.
What is the InChIKey of N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is MLJYPQRHQPFVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-13(15-9-3-1-2-5-14-8-9)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,1-3,5,8H2,(H,15,16).
What are the key properties of N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).