N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C14H19NO3S2 — CID 3243680

IUPACN-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1
InChIInChI=1S/C14H19NO3S2/c1-9-2-4-11(5-3-9)15-14(16)12-6-10-7-20(17,18)8-13(10)19-12/h6,9,11H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyZMMDMQRRWVHRBA-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.48
Rot. Bonds2

About N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3243680) has the molecular formula C14H19NO3S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3243680
Molecular FormulaC14H19NO3S2
Molecular Weight313.44 g/mol
Exact Mass313.08
IUPAC NameN-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1
InChIInChI=1S/C14H19NO3S2/c1-9-2-4-11(5-3-9)15-14(16)12-6-10-7-20(17,18)8-13(10)19-12/h6,9,11H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyZMMDMQRRWVHRBA-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3243680) is N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is CC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is ZMMDMQRRWVHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S2/c1-9-2-4-11(5-3-9)15-14(16)12-6-10-7-20(17,18)8-13(10)19-12/h6,9,11H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3243680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).