N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide

C15H19NO2S2 — CID 78995131

IUPACN-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc2sccc2s1
InChIInChI=1S/C15H19NO2S2/c17-14(13-9-12-11(20-13)5-8-19-12)16-10-15(18)6-3-1-2-4-7-15/h5,8-9,18H,1-4,6-7,10H2,(H,16,17)
InChIKeyJKJRIZARGWZSDP-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.78
Rot. Bonds3

About N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide

N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 78995131) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID78995131
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc2sccc2s1
InChIInChI=1S/C15H19NO2S2/c17-14(13-9-12-11(20-13)5-8-19-12)16-10-15(18)6-3-1-2-4-7-15/h5,8-9,18H,1-4,6-7,10H2,(H,16,17)
InChIKeyJKJRIZARGWZSDP-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
CID 80722552
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 80734365
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80738759
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 106134351

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (CID 78995131) is N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(NCC1(O)CCCCCC1)c1cc2sccc2s1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is JKJRIZARGWZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c17-14(13-9-12-11(20-13)5-8-19-12)16-10-15(18)6-3-1-2-4-7-15/h5,8-9,18H,1-4,6-7,10H2,(H,16,17).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 78995131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).