N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide

C14H18N2OS2 — CID 80744726

IUPACN-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCNC1CCC(NC(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C14H18N2OS2/c1-15-9-2-4-10(5-3-9)16-14(17)13-8-12-11(19-13)6-7-18-12/h6-10,15H,2-5H2,1H3,(H,16,17)
InChIKeyAEJJEPSGMYRIAP-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.22
Rot. Bonds3

About N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide

N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744726) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744726
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC NameN-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCNC1CCC(NC(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C14H18N2OS2/c1-15-9-2-4-10(5-3-9)16-14(17)13-8-12-11(19-13)6-7-18-12/h6-10,15H,2-5H2,1H3,(H,16,17)
InChIKeyAEJJEPSGMYRIAP-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
1-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 83211818
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
3-(thieno[3,2-b]thiophene-5-carbonylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80722377
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide (CID 80744726) is N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide is CNC1CCC(NC(=O)c2cc3sccc3s2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is AEJJEPSGMYRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-15-9-2-4-10(5-3-9)16-14(17)13-8-12-11(19-13)6-7-18-12/h6-10,15H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).